Geometry & MOs

Info

ID:	327970
PubChem CID:	126691565
Reduced:	N3O5F6C35H35 (1)
Stoich.:	A3B5C6D35E35 (1)
Weight, g/mol:	647.658031
ΔH_f, kcal/mol:	-468.19
Dipole, Da:	11.81
IP(EA), eV:	-8.69(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(8E,18S)-17-ethyl-1-methoxy-18-methylcyclotetratriacont-8-en-1-yl]oxy-N,N-dimethylpropan-1-amine

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

CC1C(OC(=O)N1CC2=C(C(=CC(=N2)N3CCC3)C)C4=C(C=CC(=C4)[C@@H]5CC[C@H](C5)C(=O)O)OC)C6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F

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

CC1C(OC(=O)N1CC2=C(C(=CC(=N2)N3CCC3)C)C4=C(C=CC(=C4)[C@@H]5CC[C@H](C5)C(=O)O)OC)C6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):