Geometry & MOs

Info

ID:	258119
PubChem CID:	103151226
Reduced:	NSO2F3C8H10 (1)
Stoich.:	ABC2D3E8F10 (1)
Weight, g/mol:	207.081933
ΔH_f, kcal/mol:	-221.42
Dipole, Da:	4.53
IP(EA), eV:	-9.64(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[2-(2,2-difluoroethoxy)ethyl]-1H-1,2,4-triazol-5-yl]methanol

Drug info:

PubChemData

Smile

C1=C(N=C(S1)CCOCC(F)(F)F)CO

DOS

IR

Vibrations