Geometry & MOs

Info

ID:	50929
PubChem CID:	12013524
Reduced:	NO2C22H23 (1)
Stoich.:	AB2C22D23 (1)
Weight, g/mol:	298.050905
ΔH_f, kcal/mol:	-26.83
Dipole, Da:	2.68
IP(EA), eV:	-7.81(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-(6-chloro-3-phenyl-1H-quinoxalin-2-ylidene)acetic acid

Drug info:

PubChemData

Smile

CC(C(C1=CC2=CC=CC=C2C=C1)NC3=CC=C(C=C3)OC)C(=O)C

DOS

IR

Vibrations