Geometry & MOs

Info

ID:	225259
PubChem CID:	85752956
Reduced:	NO3H21C25 (1)
Stoich.:	AB3C21D25 (1)
Weight, g/mol:	539.173273
ΔH_f, kcal/mol:	-34.58
Dipole, Da:	1.62
IP(EA), eV:	-8.72(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-O-[6-[2-(4-methylphenyl)-3-oxoisoindol-1-ylidene]cyclohexa-2,4-dien-1-yl] 4-O-phenyl benzene-1,4-dicarboxylate

Drug info:

PubChemData

Smile

C1C(C(=O)N(C1=O)C2=CC=CC=C2)CC=CC3=CC=C(C=C3)OC4=CC=CC=C4

DOS

IR

Vibrations