Geometry & MOs

Info

ID:	379331
PubChem CID:	134358481
Reduced:	OF2C27H40 (1)
Stoich.:	AB2C27D40 (1)
Weight, g/mol:	432.320372
ΔH_f, kcal/mol:	-163.58
Dipole, Da:	3.6
IP(EA), eV:	-8.83(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCC1CCC(CC1)C2CCC(CC2)C3=C(C(=C(C=C3)O/C=C\C)F)F

DOS

IR

Vibrations