Geometry & MOs

Info

ID:	318086
PubChem CID:	126648907
Reduced:	O2F3N5H10C13 (1)
Stoich.:	A2B3C5D10E13 (1)
Weight, g/mol:	358.110213
ΔH_f, kcal/mol:	-123.52
Dipole, Da:	1.57
IP(EA), eV:	-9.04(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[3-[3-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine

Drug info:

PubChemData

Smile

C1=CC(=CC=C1COC2=CC(=NC3=NNN=C23)N)OC(F)(F)F

DOS

IR

Vibrations