Geometry & MOs

Info

ID:

316645

PubChem CID:

126631371

Reduced:

N2H32C45 (1)

Stoich.:

A2B32C45 (1)

Weight, g/mol:

676.287849

ΔHf, kcal/mol:

187.69

Dipole, Da:

2.38

IP(EA), eV:

 -7.82(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-methyl-N-phenyl-4-[4-[21-(3-phenylphenyl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-yl]phenyl]aniline

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)C3=CC=C(C=C3)N(C4=CC=CC=C4)C5=CC=CC(=C5)C6=CC=CC=C6)C7=C1C8=CC=CC=C8C9=CC=CC=C97

DOS

IR

Vibrations