Geometry & MOs

Info

ID:	391916
PubChem CID:	135010918
Reduced:	N3O3C13H17 (1)
Stoich.:	A3B3C13D17 (1)
Weight, g/mol:	319.059306
ΔH_f, kcal/mol:	-43.52
Dipole, Da:	2.77
IP(EA), eV:	-9.5(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-nitro-3-quinoxalin-2-ylchromen-2-one

Drug info:

PubChemData

Smile

C[C@@H]([C@H](CN=[N+]=[N-])OCC1=CC=CC=C1)C(=O)OC

DOS

IR

Vibrations