Geometry & MOs

Info

ID:	31064
PubChem CID:	854350
Reduced:	ON3H13C15 (1)
Stoich.:	AB3C13D15 (1)
Weight, g/mol:	269.141579
ΔH_f, kcal/mol:	36.58
Dipole, Da:	1.96
IP(EA), eV:	-9.11(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2N

DOS

IR

Vibrations