Geometry & MOs

Info

ID:	303751
PubChem CID:	124490131
Reduced:	NOC14H21 (1)
Stoich.:	ABC14D21 (1)
Weight, g/mol:	236.067131
ΔH_f, kcal/mol:	-36.52
Dipole, Da:	2.5
IP(EA), eV:	-8.26(0.1)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-hydroxy-2,3-dimethyl-6-nitroquinoxalin-1-ium 1-oxide

Drug info:

PubChemData

Smile

CC(C)N1CC[C@H](C1)[C@@H](C2=CC=CC=C2)O

DOS

IR

Vibrations