Geometry & MOs

Info

ID:	50934
PubChem CID:	12013531
Reduced:	O2N3H11C17 (1)
Stoich.:	A2B3C11D17 (1)
Weight, g/mol:	278.105528
ΔH_f, kcal/mol:	26.42
Dipole, Da:	6.15
IP(EA), eV:	-9.24(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-(6-methyl-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)C#N)N/C2=C\C(=O)O

DOS

IR

Vibrations