Geometry & MOs

Info

ID:	309521
PubChem CID:	126546857
Reduced:	F2O3C21H28 (1)
Stoich.:	A2B3C21D28 (1)
Weight, g/mol:	418.195566
ΔH_f, kcal/mol:	-226.26
Dipole, Da:	2.48
IP(EA), eV:	-8.88(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[1-(2,5-difluoro-4-phenylmethoxyphenyl)propan-2-yl]-1,4-dioxaspiro[4.5]decan-8-ol

Drug info:

PubChemData

Smile

CCCCOC1=C(C=C(C(=C1)F)CC(C)C2=CCC3(CC2)OCCO3)F

DOS

IR

Vibrations