Geometry & MOs

Info

ID:	50932
PubChem CID:	12013529
Reduced:	N3O4H11C16 (1)
Stoich.:	A3B4C11D16 (1)
Weight, g/mol:	289.085127
ΔH_f, kcal/mol:	-5.27
Dipole, Da:	1.04
IP(EA), eV:	-9.35(-1.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C\2=NC3=C(C=CC=C3[N+](=O)[O-])N/C2=C\C(=O)O

DOS

IR

Vibrations