Geometry & MOs

Info

ID:	293112
PubChem CID:	117374111
Reduced:	NOC7H10 (2)
Stoich.:	ABC7D10 (2)
Weight, g/mol:	248.152478
ΔH_f, kcal/mol:	-75.05
Dipole, Da:	3.5
IP(EA), eV:	-8.93(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CC1=CC=C(C=C1)N2CCN(C(=O)C2)C)O

DOS

IR

Vibrations