Geometry & MOs

Info

ID:	276874
PubChem CID:	103825525
Reduced:	INO3C11H14 (1)
Stoich.:	ABC3D11E14 (1)
Weight, g/mol:	200.116092
ΔH_f, kcal/mol:	-113.97
Dipole, Da:	2.44
IP(EA), eV:	-9.26(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(4-hydroxybutan-2-yl)-5-oxopyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(CCO)NC(=O)C1=C(C=CC(=C1)I)O

DOS

IR

Vibrations