Geometry & MOs

Info

ID:	293109
PubChem CID:	117374103
Reduced:	NOC7H10 (2)
Stoich.:	ABC7D10 (2)
Weight, g/mol:	248.152478
ΔH_f, kcal/mol:	-75.99
Dipole, Da:	6.03
IP(EA), eV:	-8.66(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(2-hydroxypropyl)phenyl]-4-methylpiperazin-2-one

Drug info:

PubChemData

Smile

CC(CC1=C2C(=CC=C1)N(CCN2C)C)C(=O)O

DOS

IR

Vibrations