Geometry & MOs

Info

ID:

316613

PubChem CID:

126631319

Reduced:

N2H34C47 (1)

Stoich.:

A2B34C47 (1)

Weight, g/mol:

600.256549

ΔHf, kcal/mol:

194.76

Dipole, Da:

2.62

IP(EA), eV:

 -8.02(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-methyl-N-phenyl-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]aniline

Drug info:

PubChemData

Smile

CN1C2=C(C3=C1C(=CC=C3)C4=CC=C(C=C4)C5=CC=C(C=C5)N(C6=CC=CC=C6)C7=CC=CC(=C7)C8=CC=CC=C8)C9=CC=CC=C9C=C2

DOS

IR

Vibrations