Geometry & MOs

Info

ID:	195144
PubChem CID:	78643630
Reduced:	N2O6H16C19 (1)
Stoich.:	A2B6C16D19 (1)
Weight, g/mol:	416.09277
ΔH_f, kcal/mol:	-100.63
Dipole, Da:	4.64
IP(EA), eV:	-8.9(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]ethenylidene]quinoxalin-2-one

Drug info:

PubChemData

Smile

CC(C(=O)C1=CNC2=CC=CC=C21)OC3=C(C=C(C=C3)C(=O)OC)[N+](=O)[O-]

DOS

IR

Vibrations