Geometry & MOs

Info

ID:	409320
PubChem CID:	135082100
Reduced:	NO2H8C10 (2)
Stoich.:	AB2C8D10 (2)
Weight, g/mol:	552.382812
ΔH_f, kcal/mol:	-52.02
Dipole, Da:	4.79
IP(EA), eV:	-9.17(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3,7,8,12,13,17,18-octaethyl-3,22,23,24-tetrahydro-2H-porphyrin-5-one

Drug info:

PubChemData

Smile

CC1=CC2=CC(=C3N2C(=N1)C(=C3C(=O)OC)C(=O)OC)C4=CC=CC=C4

DOS

IR

Vibrations