Geometry & MOs

Info

ID:	328565
PubChem CID:	126725060
Reduced:	NO2C9H13 (1)
Stoich.:	AB2C9D13 (1)
Weight, g/mol:	366.144279
ΔH_f, kcal/mol:	-43.38
Dipole, Da:	4.47
IP(EA), eV:	-9.6(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-5-(4-propylphenyl)-2-(3,4,5-trifluorophenyl)-1,3-dioxan-2-ol

Drug info:

PubChemData

Smile

CN1CCCC[C@](C1=O)(C#C)O

DOS

IR

Vibrations