Geometry & MOs

Info

ID:	257655
PubChem CID:	103147763
Reduced:	O2F5C13H15 (1)
Stoich.:	A2B5C13D15 (1)
Weight, g/mol:	277.160183
ΔH_f, kcal/mol:	-348.13
Dipole, Da:	6.69
IP(EA), eV:	-9.96(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,2-difluoroethoxy)-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-ol

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CC(CCOCC(F)F)O)C(F)(F)F

DOS

IR

Vibrations