Geometry & MOs

Info

ID:

316561

PubChem CID:

126631240

Reduced:

N2H30C41 (1)

Stoich.:

A2B30C41 (1)

Weight, g/mol:

600.256549

ΔHf, kcal/mol:

173.78

Dipole, Da:

3.28

IP(EA), eV:

 -8.0(-0.69)

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,4-diphenylaniline

Drug info:

PubChemData

Smile

CN(C1=CC=CC=C1)C2=CC=C(C=C2)C3=CC4=C(C=C3)C5=CC6=CC=CC=C6C=C5N4C7=CC=C(C=C7)C8=CC=CC=C8

DOS

IR

Vibrations