Geometry & MOs

Info

ID:	356599
PubChem CID:	127291825
Reduced:	N3O3C13H23 (1)
Stoich.:	A3B3C13D23 (1)
Weight, g/mol:	387.182792
ΔH_f, kcal/mol:	-146.59
Dipole, Da:	5.27
IP(EA), eV:	-9.05(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,1-dioxothiolan-3-yl)-4-[4-(2-hydroxybutyl)piperazine-1-carbonyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CCC(CN1CCN(CC1)C(=O)[C@H]2CCC(=O)N2)O

DOS

IR

Vibrations