Geometry & MOs

Info

ID:	185655
PubChem CID:	77326892
Reduced:	O6C19H28 (1)
Stoich.:	A6B19C28 (1)
Weight, g/mol:	361.09368
ΔH_f, kcal/mol:	-275.31
Dipole, Da:	2.93
IP(EA), eV:	-8.88(0.02)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-(2-methylanilino)-9-nitrobenzo[f]quinoxalin-1-ium-2,3-dione

Drug info:

PubChemData

Smile

CC1C(C(C(C(O1)C2=C(C=CC(=C2)C3CCCC(C3)O)OC)O)O)O

DOS

IR

Vibrations