Geometry & MOs

Info

ID:	279669
PubChem CID:	103844617
Reduced:	NO4C16H25 (1)
Stoich.:	AB4C16D25 (1)
Weight, g/mol:	242.163043
ΔH_f, kcal/mol:	-170.48
Dipole, Da:	6.56
IP(EA), eV:	-9.21(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[2-ethyl-2-(hydroxymethyl)butyl]-5-oxopyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(CC)(CNC(=O)C1=C(C=CC=C1OC)OC)CO

DOS

IR

Vibrations