Geometry & MOs

Info

ID:	14152
PubChem CID:	405220
Reduced:	N5O5H19C20 (1)
Stoich.:	A5B5C19D20 (1)
Weight, g/mol:	409.138619
ΔH_f, kcal/mol:	32.06
Dipole, Da:	7.26
IP(EA), eV:	-9.07(-2.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations