Geometry & MOs

Info

ID:	356598
PubChem CID:	127291824
Reduced:	SN3O3C19H25 (1)
Stoich.:	AB3C3D19E25 (1)
Weight, g/mol:	269.173942
ΔH_f, kcal/mol:	-107.54
Dipole, Da:	3.14
IP(EA), eV:	-8.8(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-5-[4-(2-hydroxybutyl)piperazine-1-carbonyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CCC(CN1CCN(CC1)C(=O)C23CCC(=O)N2C4=CC=CC=C4S3)O

DOS

IR

Vibrations