Geometry & MOs

Info

ID:

316644

PubChem CID:

126631365

Reduced:

N2H28C37 (1)

Stoich.:

A2B28C37 (1)

Weight, g/mol:

600.256549

ΔHf, kcal/mol:

156.96

Dipole, Da:

0.8

IP(EA), eV:

 -7.9(-0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[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]-N,3-diphenylaniline

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C3=C(C=CC=C31)C4=CC=C(C=C4)N(C5=CC=CC=C5)C6=CC=CC(=C6)C7=CC=CC=C7

DOS

IR

Vibrations