Geometry & MOs

Info

ID:	27480
PubChem CID:	821556
Reduced:	NO3H11C15 (1)
Stoich.:	AB3C11D15 (1)
Weight, g/mol:	269.141579
ΔH_f, kcal/mol:	-53.34
Dipole, Da:	4.31
IP(EA), eV:	-9.56(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,7aS)-2-benzyl-5,6-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Drug info:

PubChemData

Smile

CN1C(=O)C2=C(C1=O)C=C(C=C2)OC3=CC=CC=C3

DOS

IR

Vibrations