Geometry & MOs

Info

ID:	27294
PubChem CID:	820398
Reduced:	BrN2O4C9H11 (1)
Stoich.:	AB2C4D9E11 (1)
Weight, g/mol:	314.082205
ΔH_f, kcal/mol:	-60.99
Dipole, Da:	10.52
IP(EA), eV:	-9.41(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-[(3-chlorophenyl)methylamino]-1-phenylpyrrolidine-2,5-dione

Drug info:

PubChemData

Smile

CCOC1=CC(=C(N=C1[N+](=O)[O-])Br)OCC

DOS

IR

Vibrations