Geometry & MOs

Info

ID:

313378

PubChem CID:

126614169

Reduced:

N2O2C25H26 (1)

Stoich.:

A2B2C25D26 (1)

Weight, g/mol:

652.287849

ΔHf, kcal/mol:

-16.82

Dipole, Da:

1.58

IP(EA), eV:

 -8.75(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[3-(6-methylcyclohexa-1,3-dien-1-yl)-5-phenylphenyl]-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

Drug info:

PubChemData

Smile

CCCCCCCCC1=NC2=C(O1)C=CC3=C2C=CC4=C3C=CC5=C4N=C(O5)C

DOS

IR

Vibrations