Geometry & MOs

Info

ID:

316607

PubChem CID:

126631311

Reduced:

N2H34C47 (1)

Stoich.:

A2B34C47 (1)

Weight, g/mol:

524.225249

ΔHf, kcal/mol:

199.24

Dipole, Da:

3.14

IP(EA), eV:

 -8.0(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-methyl-N-phenyl-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-amine

Drug info:

PubChemData

Smile

CN1C2=C(C3=CC=CC=C3C=C2)C4=C(C=CC=C41)C5=CC=C(C=C5)C6=CC=C(C=C6)N(C7=CC=CC=C7)C8=CC=C(C=C8)C9=CC=CC=C9

DOS

IR

Vibrations