Geometry & MOs

Info

ID:	142392
PubChem CID:	53028118
Reduced:	ClFN4O4H16C20 (1)
Stoich.:	ABC4D4E16F20 (1)
Weight, g/mol:	455.159354
ΔH_f, kcal/mol:	-128.89
Dipole, Da:	6.84
IP(EA), eV:	-8.66(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-ethoxyphenyl)-2-(1-oxo-4-phenoxy-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C3=C(N2)C(=O)N(C=N3)CC(=O)NC4=CC(=C(C=C4)F)Cl)OC

DOS

IR

Vibrations