Geometry & MOs

Info

ID:	139820
PubChem CID:	52602081
Reduced:	N3O3C12H22 (1)
Stoich.:	A3B3C12D22 (1)
Weight, g/mol:	255.158292
ΔH_f, kcal/mol:	-119.65
Dipole, Da:	4.71
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756555
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[4-(hydroxymethyl)piperidin-1-yl]acetyl]piperazin-2-one

Drug info:

PubChemData

Smile

C1C[NH+](CCC1CO)CC(=O)N2CCNC(=O)C2

DOS

IR

Vibrations