Geometry & MOs

Info

ID:	55100
PubChem CID:	17389764
Reduced:	BrN2O2C11H11 (1)
Stoich.:	AB2C2D11E11 (1)
Weight, g/mol:	218.105528
ΔH_f, kcal/mol:	-63.52
Dipole, Da:	2.93
IP(EA), eV:	-9.17(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CC(=O)NC1C(=O)NC2=CC=C(C=C2)Br

DOS

IR

Vibrations