Geometry & MOs

Info

ID:	195146
PubChem CID:	78643683
Reduced:	N2O8H18C19 (1)
Stoich.:	A2B8C18D19 (1)
Weight, g/mol:	334.095357
ΔH_f, kcal/mol:	-190.94
Dipole, Da:	5.35
IP(EA), eV:	-8.7(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)ethenylidene]quinoxalin-2-one

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=C(C=C1)OCC(=O)NCC2COC3=CC=CC=C3O2)[N+](=O)[O-]

DOS

IR

Vibrations