Geometry & MOs

Info

ID:

316618

PubChem CID:

126631326

Reduced:

N2H34C47 (1)

Stoich.:

A2B34C47 (1)

Weight, g/mol:

676.287849

ΔHf, kcal/mol:

195.95

Dipole, Da:

3.0

IP(EA), eV:

 -8.09(-0.7)

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-18-yl]phenyl]aniline

Drug info:

PubChemData

Smile

CN(C1=CC=CC=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C4=CC5=C(C=C4)C6=C(N5C7=CC=CC(=C7)C8=CC=CC=C8)C=CC9=CC=CC=C96

DOS

IR

Vibrations