Geometry & MOs

Info

ID:	257630
PubChem CID:	103147476
Reduced:	O2F6C13H14 (1)
Stoich.:	A2B6C13D14 (1)
Weight, g/mol:	295.150761
ΔH_f, kcal/mol:	-400.86
Dipole, Da:	7.99
IP(EA), eV:	-9.98(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations