Geometry & MOs

Info

ID:	225588
PubChem CID:	85856284
Reduced:	O3C21H28 (1)
Stoich.:	A3B21C28 (1)
Weight, g/mol:	486.157957
ΔH_f, kcal/mol:	-130.22
Dipole, Da:	6.27
IP(EA), eV:	-8.64(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,3-dioxoisoindol-4-yl)-2-[2-methyl-4-[(3-methylphenyl)methyl]phenyl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

CC12CC(C3C(C1CCC2=O)CCC4=C3C=CC(=C4)OC)COC

DOS

IR

Vibrations