Geometry & MOs

Info

ID:

396877

PubChem CID:

135029378

Reduced:

O5H28C53 (1)

Stoich.:

A5B28C53 (1)

Weight, g/mol:

636.245316

ΔHf, kcal/mol:

38.98

Dipole, Da:

12.19

IP(EA), eV:

 -7.75(-1.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-(15,16,18,19-tetraphenyl-17-tetracyclo[12.5.0.02,7.08,13]nonadeca-1(14),2,4,6,8,10,12,15,18-nonaenylidene)cyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

COC1=CC(=C2C3=CC=CC4=C3C5=C6C2=C1C7=CC=CC8=C9C=CC=C1C9=C(C6=C87)C2=C3C5=C5C4=CC(=O)C=C5C4=C3C(=CC=C4)C3=C(C=C(C1=C32)OC)OC)OC

DOS

IR

Vibrations