Geometry & MOs

Info

ID:	277557
PubChem CID:	103829431
Reduced:	BrN2O2C12H19 (1)
Stoich.:	AB2C2D12E19 (1)
Weight, g/mol:	268.142307
ΔH_f, kcal/mol:	-54.02
Dipole, Da:	2.06
IP(EA), eV:	-9.2(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoyl]cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)CONC(=O)C1=CC(=CN1C(C)C)Br

DOS

IR

Vibrations