Geometry & MOs

Info

ID:	379332
PubChem CID:	134358482
Reduced:	OF2C28H42 (1)
Stoich.:	AB2C28D42 (1)
Weight, g/mol:	460.351672
ΔH_f, kcal/mol:	-170.68
Dipole, Da:	4.25
IP(EA), eV:	-8.89(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(E)-but-2-enoxy]-2,3-difluoro-4-[4-(4-octylcyclohexyl)cyclohexyl]benzene

Drug info:

PubChemData

Smile

CCCCCCC1CCC(CC1)C2CCC(CC2)C3=C(C(=C(C=C3)OC/C=C/C)F)F

DOS

IR

Vibrations