Geometry & MOs

Info

ID:	328567
PubChem CID:	126725232
Reduced:	F2O3C14H18 (1)
Stoich.:	A2B3C14D18 (1)
Weight, g/mol:	386.206879
ΔH_f, kcal/mol:	-226.45
Dipole, Da:	6.09
IP(EA), eV:	-9.9(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-butyl-5-methyl-2-[4-(3,4,5-trifluorophenyl)cyclohexyl]-1,3-dioxan-2-ol

Drug info:

PubChemData

Smile

CCCC1(COC(OC1)(C2=CC(=C(C=C2)F)F)O)C

DOS

IR

Vibrations