Geometry & MOs

Info

ID:

316573

PubChem CID:

126631257

Reduced:

N2H30C41 (1)

Stoich.:

A2B30C41 (1)

Weight, g/mol:

676.287849

ΔHf, kcal/mol:

175.86

Dipole, Da:

2.22

IP(EA), eV:

 -7.83(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-methyl-N-phenyl-4-[4-[21-(4-phenylphenyl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaen-16-yl]phenyl]aniline

Drug info:

PubChemData

Smile

CN1C2=C(C3=CC=CC=C3C=C2)C4=C(C=CC=C41)C5=CC=C(C=C5)N(C6=CC=CC=C6)C7=CC=C(C=C7)C8=CC=CC=C8

DOS

IR

Vibrations