Geometry & MOs

Info

ID:	132772
PubChem CID:	51417954
Reduced:	ClN2O3C10H10 (1)
Stoich.:	AB2C3D10E10 (1)
Weight, g/mol:	289.179027
ΔH_f, kcal/mol:	-104.96
Dipole, Da:	2.4
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755464
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-N-butyl-1-N-phenylpyrrolidine-1,2-dicarboxamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)[O-])NC(=O)NC1=CC=CC=C1Cl

DOS

IR

Vibrations