Geometry & MOs

Info

ID:	257639
PubChem CID:	103147533
Reduced:	O3F4C12H14 (1)
Stoich.:	A3B4C12D14 (1)
Weight, g/mol:	281.135111
ΔH_f, kcal/mol:	-315.23
Dipole, Da:	4.24
IP(EA), eV:	-9.2(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-propyl-1,2,4-triazol-3-yl)-4-(2,2,2-trifluoroethoxy)butan-2-ol

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1F)C(CCOCC(F)(F)F)O

DOS

IR

Vibrations