Geometry & MOs

Info

ID:	141856
PubChem CID:	52939699
Reduced:	OF2N5H11C16 (1)
Stoich.:	AB2C5D11E16 (1)
Weight, g/mol:	359.099395
ΔH_f, kcal/mol:	-22.98
Dipole, Da:	2.19
IP(EA), eV:	-8.74(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-2-[[2-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]quinoxalin-1-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C(C3=NN(C(=O)N23)CC4=CC(=CC(=C4)F)F)N

DOS

IR

Vibrations