Geometry & MOs

Info

ID:	185771
PubChem CID:	77345547
Reduced:	OF4C39H46 (1)
Stoich.:	AB4C39D46 (1)
Weight, g/mol:	632.400514
ΔH_f, kcal/mol:	-211.17
Dipole, Da:	2.52
IP(EA), eV:	-9.05(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2,3-difluoro-4-nonylphenyl)phenyl]-2,3-difluoro-4-[4-(4-prop-1-enylcyclohexyl)cyclohexyl]benzene

Drug info:

PubChemData

Smile

CCCCCCOC1=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