Geometry & MOs

Info

ID:	185772
PubChem CID:	77345548
Reduced:	F2C21H26 (2)
Stoich.:	A2B21C26 (2)
Weight, g/mol:	674.447465
ΔH_f, kcal/mol:	-194.99
Dipole, Da:	2.52
IP(EA), eV:	-9.24(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2,3-difluoro-4-hex-3-enylphenyl)phenyl]-2,3-difluoro-4-[4-(4-nonylcyclohexyl)cyclohexyl]benzene

Drug info:

PubChemData

Smile

CCCCCCCCCC1=C(C(=C(C=C1)C2=CC=C(C=C2)C3=C(C(=C(C=C3)C4CCC(CC4)C5CCC(CC5)C=CC)F)F)F)F

DOS

IR

Vibrations