Geometry & MOs

Info

ID:	78504
PubChem CID:	49693423
Reduced:	N3O4C12H13 (1)
Stoich.:	A3B4C12D13 (1)
Weight, g/mol:	278.126657
ΔH_f, kcal/mol:	-64.04
Dipole, Da:	6.27
IP(EA), eV:	-10.11(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,5-dimethoxybenzoyl)-3-methylpiperazin-2-one

Drug info:

PubChemData

Smile

CC1C(=O)NCCN1C(=O)C2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations