Geometry & MOs

Info

ID:	225306
PubChem CID:	85756458
Reduced:	ON2H16C17 (1)
Stoich.:	AB2C16D17 (1)
Weight, g/mol:	720.288912
ΔH_f, kcal/mol:	58.7
Dipole, Da:	3.54
IP(EA), eV:	-8.62(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-6-(5,10,15,20-tetraphenyl-22,23-dihydro-21H-porphyrin-2-ylidene)cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CC(=O)N(CC#CC1=CC=CC=C1)C2=CC=CC=C2N

DOS

IR

Vibrations