Geometry & MOs

Info

ID:	58921
PubChem CID:	24716228
Reduced:	N2O3C16H22 (1)
Stoich.:	A2B3C16D22 (1)
Weight, g/mol:	276.111007
ΔH_f, kcal/mol:	-116.87
Dipole, Da:	1.59
IP(EA), eV:	-9.03(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-acetyl-1-(1,3-benzodioxol-5-yl)-3-methylpiperazin-2-one

Drug info:

PubChemData

Smile

CC1C(=O)N(CCN1C(=O)COC)C2=CC=CC(=C2C)C

DOS

IR

Vibrations