Geometry & MOs

Info

ID:

378244

PubChem CID:

134224320

Reduced:

ON2H26C38 (1)

Stoich.:

AB2C26D38 (1)

Weight, g/mol:

499.193614

ΔHf, kcal/mol:

115.04

Dipole, Da:

3.84

IP(EA), eV:

 -7.98(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-cyclohexa-1,5-dien-1-yl-5,10-diphenyl-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13(18),14,16-nonaen-19-one

Drug info:

PubChemData

Smile

CC12CC(=CC=C1N(C3=CC=CC=C23)C4=CC=CC=C4)C5=CC6=C7C(=C5)C8=CC=CC=C8N7C(=O)C9=CC=CC=C96

DOS

IR

Vibrations