Geometry & MOs

Info

ID:	230215
PubChem CID:	87570431
Reduced:	OH4C6 (3)
Stoich.:	AB4C6 (3)
Weight, g/mol:	487.096675
ΔH_f, kcal/mol:	-6.16
Dipole, Da:	4.57
IP(EA), eV:	-9.23(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[2-[3,5-bis(trifluoromethyl)phenyl]-6-oxo-4H-quinoxaline-5-carbonyl]amino]acetate

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C(=CC(=O)O2)C3=CC=C(C=C3)C#C

DOS

IR

Vibrations