Geometry & MOs

Info

ID:	188512
PubChem CID:	77726269
Reduced:	N3O4C28H37 (1)
Stoich.:	A3B4C28D37 (1)
Weight, g/mol:	379.07799
ΔH_f, kcal/mol:	-157.29
Dipole, Da:	2.59
IP(EA), eV:	-9.34(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-oxo-7-(4-oxopyridin-1-yl)-6-(trifluoromethyl)-2H-quinoxaline-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C(=O)NC(COCC1=CC=CC=C1)C(=O)N2CCC3(CC2)CC(C4=CC=CC=C34)CO)N

DOS

IR

Vibrations