Geometry & MOs

Info

ID:	185775
PubChem CID:	77345581
Reduced:	OF4C39H46 (1)
Stoich.:	AB4C39D46 (1)
Weight, g/mol:	662.411079
ΔH_f, kcal/mol:	-207.96
Dipole, Da:	1.9
IP(EA), eV:	-9.07(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2,3-difluoro-4-[4-(4-octylcyclohexyl)cyclohexyl]phenyl]phenyl]-2,3-difluoro-4-pent-3-enoxybenzene

Drug info:

PubChemData

Smile

CCCCCC1CCC(CC1)C2CCC(CC2)C3=C(C(=C(C=C3)C4=CC=C(C=C4)C5=C(C(=C(C=C5)OC=CCC)F)F)F)F

DOS

IR

Vibrations