Geometry & MOs

Info

ID:	309522
PubChem CID:	126546861
Reduced:	FO2C12H14 (2)
Stoich.:	AB2C12D14 (2)
Weight, g/mol:	400.185001
ΔH_f, kcal/mol:	-245.36
Dipole, Da:	1.7
IP(EA), eV:	-9.02(-0.28)
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]dec-7-ene

Drug info:

PubChemData

Smile

CC(CC1=CC(=C(C=C1F)OCC2=CC=CC=C2)F)C3(CCC4(CC3)OCCO4)O

DOS

IR

Vibrations