Geometry & MOs

Info

ID:	55249
PubChem CID:	17389957
Reduced:	BrN2O2C12H13 (1)
Stoich.:	AB2C2D12E13 (1)
Weight, g/mol:	296.01604
ΔH_f, kcal/mol:	-74.79
Dipole, Da:	6.07
IP(EA), eV:	-9.14(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations