Geometry & MOs

Info

ID:	55250
PubChem CID:	17389958
Reduced:	BrN2O2C12H13 (1)
Stoich.:	AB2C2D12E13 (1)
Weight, g/mol:	252.066555
ΔH_f, kcal/mol:	-69.45
Dipole, Da:	6.76
IP(EA), eV:	-9.16(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)NC(=O)C2CCC(=O)N2

DOS

IR

Vibrations