Geometry & MOs

Info

ID:	185769
PubChem CID:	77345341
Reduced:	F3C43H55 (1)
Stoich.:	A3B43C55 (1)
Weight, g/mol:	576.337914
ΔH_f, kcal/mol:	-157.18
Dipole, Da:	1.85
IP(EA), eV:	-9.16(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2,3-difluoro-4-[4-(4-pent-3-enylcyclohexyl)cyclohexyl]phenyl]phenyl]-2,3-difluoro-4-propylbenzene

Drug info:

PubChemData

Smile

CCCCCCCCCCC1=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

DOS

IR

Vibrations