Geometry & MOs

Info

ID:	328566
PubChem CID:	126725193
Reduced:	F3O3C20H21 (1)
Stoich.:	A3B3C20D21 (1)
Weight, g/mol:	272.122401
ΔH_f, kcal/mol:	-245.97
Dipole, Da:	5.15
IP(EA), eV:	-9.24(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-difluorophenyl)-5-methyl-5-propyl-1,3-dioxan-2-ol

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)C2(COC(OC2)(C3=CC(=C(C(=C3)F)F)F)O)C

DOS

IR

Vibrations