Geometry & MOs

Info

ID:	293114
PubChem CID:	117374133
Reduced:	NOC7H10 (2)
Stoich.:	ABC7D10 (2)
Weight, g/mol:	248.152478
ΔH_f, kcal/mol:	-80.75
Dipole, Da:	5.65
IP(EA), eV:	-9.09(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]piperazin-2-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N2CCCCC2)C(C(=O)O)N

DOS

IR

Vibrations