Geometry & MOs

Info

ID:	50931
PubChem CID:	12013526
Reduced:	ClN2O2H11C16 (1)
Stoich.:	AB2C2D11E16 (1)
Weight, g/mol:	309.074956
ΔH_f, kcal/mol:	-16.68
Dipole, Da:	4.32
IP(EA), eV:	-9.08(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-(5-nitro-3-phenyl-1H-quinoxalin-2-ylidene)acetic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C\2=NC3=C(C=C(C=C3)Cl)N/C2=C\C(=O)O

DOS

IR

Vibrations