Geometry & MOs

Info

ID:	276127
PubChem CID:	103820770
Reduced:	BrN2O2C9H11 (1)
Stoich.:	AB2C2D9E11 (1)
Weight, g/mol:	186.100442
ΔH_f, kcal/mol:	-71.71
Dipole, Da:	1.42
IP(EA), eV:	-9.78(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[(2S)-1-hydroxypropan-2-yl]-5-oxopyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](CO)NC(=O)C1=C(N=CC=C1)Br

DOS

IR

Vibrations