Geometry & MOs

Info

ID:	206762
PubChem CID:	80296368
Reduced:	NOC7H14 (2)
Stoich.:	ABC7D14 (2)
Weight, g/mol:	214.168128
ΔH_f, kcal/mol:	-134.47
Dipole, Da:	3.82
IP(EA), eV:	-9.61(1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(2-ethyl-4-hydroxybutyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(CCO)CNC(=O)C1CCCCC1CN

DOS

IR

Vibrations