Geometry & MOs

Info

ID:	260999
PubChem CID:	103213560
Reduced:	OSN2F3H9C10 (1)
Stoich.:	ABC2D3E9F10 (1)
Weight, g/mol:	283.114376
ΔH_f, kcal/mol:	-158.33
Dipole, Da:	2.53
IP(EA), eV:	-8.48(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2-methoxyethyl)-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazol-3-yl]methanol

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1N)SC(=N2)COCC(F)(F)F

DOS

IR

Vibrations