Geometry & MOs

Info

ID:

316640

PubChem CID:

126631355

Reduced:

N2H28C31 (1)

Stoich.:

A2B28C31 (1)

Weight, g/mol:

676.287849

ΔHf, kcal/mol:

116.19

Dipole, Da:

3.07

IP(EA), eV:

 -7.95(-0.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[4-(21-methyl-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]phenyl]-N,3-diphenylaniline

Drug info:

PubChemData

Smile

C/C=C(\C1=C(N(C2=CC=CC=C21)C)C)/N(C3=CC=CC=C3)C4=CC=CC(=C4)C5=CC=CC=C5

DOS

IR

Vibrations