Geometry & MOs

Info

ID:

316536

PubChem CID:

126631185

Reduced:

N2H34C47 (1)

Stoich.:

A2B34C47 (1)

Weight, g/mol:

600.256549

ΔHf, kcal/mol:

197.03

Dipole, Da:

2.87

IP(EA), eV:

 -8.03(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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]-N,N-diphenylaniline

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=CC7=CC=CC=C7C=C6N5C8=CC=C(C=C8)C9=CC=CC=C9

DOS

IR

Vibrations