Geometry & MOs

Info

ID:	146150
PubChem CID:	53644847
Reduced:	O3N4C23H34 (1)
Stoich.:	A3B4C23D34 (1)
Weight, g/mol:	2335.408514
ΔH_f, kcal/mol:	-128.32
Dipole, Da:	5.78
IP(EA), eV:	-8.64(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dibutyl benzene-1,2-dicarboxylate;dibutyl propanedioate;dicyclohexyl benzene-1,2-dicarboxylate;dioctyl propanedioate;ethane;4-methylphenol;4-methyl-2-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol;octyl 8-(3-octyloxiran-2-yl)octanoate;phosphorosooxybenzene;phosphorosooxymethane;2,5,5-trimethyl-1-phosphorosooxyhexane

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(C)(C)OC(=O)NCC1CCN(C1)CCCNC(=O)C2=CN(C3=CC=CC=C32)C

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(C)(C)OC(=O)NCC1CCN(C1)CCCNC(=O)C2=CN(C3=CC=CC=C32)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):