Geometry & MOs

Info

ID:

316584

PubChem CID:

126631274

Reduced:

N2H30C41 (1)

Stoich.:

A2B30C41 (1)

Weight, g/mol:

600.256549

ΔHf, kcal/mol:

174.02

Dipole, Da:

2.35

IP(EA), eV:

 -7.9(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-methyl-N-phenyl-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(20),16,18-decaen-19-yl]aniline

Drug info:

PubChemData

Smile

CN(C1=CC=CC=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C4=CC5=C(C=C4)N(C6=CC7=CC=CC=C7C=C65)C8=CC=CC=C8

DOS

IR

Vibrations