Geometry & MOs

Info

ID:	172768
PubChem CID:	75549819
Reduced:	O3N4C19H26 (1)
Stoich.:	A3B4C19D26 (1)
Weight, g/mol:	420.216141
ΔH_f, kcal/mol:	-113.15
Dipole, Da:	10.34
IP(EA), eV:	-8.26(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

N-[1,4-dimethyl-7-(4-methylpiperidin-1-yl)-2,3-dioxoquinoxaline-1,4-diium-6-yl]-2-methylbenzamide

Drug info:

PubChemData

Smile

CC(C)C(=O)NC1=CC2=[N+](C(=O)C(=O)[N+](=C2C=C1N3CCCCC3)C)C

DOS

IR

Vibrations