Geometry & MOs

Info

ID:	281006
PubChem CID:	103852377
Reduced:	O2N3C16H21 (1)
Stoich.:	A2B3C16D21 (1)
Weight, g/mol:	228.147393
ΔH_f, kcal/mol:	-67.3
Dipole, Da:	5.64
IP(EA), eV:	-8.93(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(1-hydroxy-4-methylpentan-3-yl)-5-oxopyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(CCO)NC(=O)C1=NC2=CC=CC=C2C(=C1)N

DOS

IR

Vibrations