Geometry & MOs

Info

ID:	182290
PubChem CID:	76871630
Reduced:	N3O3C20H21 (1)
Stoich.:	A3B3C20D21 (1)
Weight, g/mol:	429.173822
ΔH_f, kcal/mol:	7.21
Dipole, Da:	5.04
IP(EA), eV:	-8.03(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-1-ethyl-2,3-dioxoquinoxalin-1-ium-6-carboxamide

Drug info:

PubChemData

Smile

CC1CC2=CC=CC=C2N1CCNC(=O)C=CC3=CC=CC=C3[N+](=O)[O-]

DOS

IR

Vibrations