Geometry & MOs

Info

ID:	325817
PubChem CID:	126685104
Reduced:	ClO5C14H21 (1)
Stoich.:	AB5C14D21 (1)
Weight, g/mol:	791.330048
ΔH_f, kcal/mol:	-241.93
Dipole, Da:	3.87
IP(EA), eV:	-10.22(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11,25,38-tris(4-methylphenyl)-11,25,38-triazaundecacyclo[13.13.13.02,14.04,12.05,10.016,28.018,26.019,24.029,41.031,39.032,37]hentetraconta-2(14),3,5,7,9,12,16(28),17,19,21,23,26,29(41),30,32,34,36,39-octadecaene

Drug info:

PubChemData

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

COC(=O)C[C@H]1[C@@H](C[C@H]([C@@H]1C=O)OC2CCCCO2)Cl

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

COC(=O)C[C@H]1[C@@H](C[C@H]([C@@H]1C=O)OC2CCCCO2)Cl

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):