Geometry & MOs

Info

ID:	293115
PubChem CID:	117374172
Reduced:	NOC7H10 (2)
Stoich.:	ABC7D10 (2)
Weight, g/mol:	248.152478
ΔH_f, kcal/mol:	-77.65
Dipole, Da:	4.44
IP(EA), eV:	-8.6(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(1-hydroxypropan-2-yl)phenyl]-1-methylpiperazin-2-one

Drug info:

PubChemData

Smile

CC(C)(CO)C1=CC=C(C=C1)N2CCNC(=O)C2

DOS

IR

Vibrations