Geometry & MOs

Info

ID:

316569

PubChem CID:

126631253

Reduced:

N2H34C47 (1)

Stoich.:

A2B34C47 (1)

Weight, g/mol:

524.225249

ΔHf, kcal/mol:

196.98

Dipole, Da:

1.51

IP(EA), eV:

 -8.0(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

21-methyl-N-phenyl-N-(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-18-amine

Drug info:

PubChemData

Smile

CN(C1=CC=CC=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C4=C5C(=CC=C4)N(C6=CC7=CC=CC=C7C=C65)C8=CC=C(C=C8)C9=CC=CC=C9

DOS

IR

Vibrations