Geometry & MOs

Info

ID:	292971
PubChem CID:	117367439
Reduced:	F2O3C12H16 (1)
Stoich.:	A2B3C12D16 (1)
Weight, g/mol:	246.100442
ΔH_f, kcal/mol:	-221.05
Dipole, Da:	5.33
IP(EA), eV:	-8.66(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-acetylphenyl)-4-methylpiperazine-2,3-dione

Drug info:

PubChemData

Smile

CC(C1=CC(=C(C(=C1)OC)OC)CCO)(F)F

DOS

IR

Vibrations