Geometry & MOs

Info

ID:	197593
PubChem CID:	78981440
Reduced:	BrN2O2C12H13 (1)
Stoich.:	AB2C2D12E13 (1)
Weight, g/mol:	229.085127
ΔH_f, kcal/mol:	-75.62
Dipole, Da:	3.95
IP(EA), eV:	-9.11(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-cyanophenyl)-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2CC(=O)NC2)Br

DOS

IR

Vibrations