Geometry & MOs

Info

ID:	399091
PubChem CID:	135037701
Reduced:	ClOC11H17 (1)
Stoich.:	ABC11D17 (1)
Weight, g/mol:	326.0266
ΔH_f, kcal/mol:	-80.27
Dipole, Da:	3.16
IP(EA), eV:	-10.07(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,4S,7aS)-5-bromo-2-methyl-4-(2-oxopyrrolidin-1-yl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Drug info:

PubChemData

Smile

C1C[C@H]2CCC([C@@H]2CC(=O)C1)CCl

DOS

IR

Vibrations