Geometry & MOs

Info

ID:	31065
PubChem CID:	854361
Reduced:	NO2C17H19 (1)
Stoich.:	AB2C17D19 (1)
Weight, g/mol:	269.141579
ΔH_f, kcal/mol:	-75.14
Dipole, Da:	3.35
IP(EA), eV:	-9.2(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C[C@H]2[C@H](C1)C(=O)N(C2=O)C3=CC=CC=C3C)C

DOS

IR

Vibrations