Geometry & MOs

Info

ID:

319437

PubChem CID:

126656025

Reduced:

ClNOH10C18 (1)

Stoich.:

ABCD10E18 (1)

Weight, g/mol:

642.267114

ΔHf, kcal/mol:

45.41

Dipole, Da:

2.07

IP(EA), eV:

 -8.41(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(6-methylcyclohexa-1,3-dien-1-yl)-N-phenyl-14-(4-phenylphenyl)-3-oxa-14-azahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1,4,6,8,10,12,15(24),16,18,20,22-undecaen-12-amine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(C=C4C5=CC=CC=C5OC4=C3N2)Cl

DOS

IR

Vibrations