Geometry & MOs

Info

ID:	379342
PubChem CID:	134358745
Reduced:	OF4C32H42 (1)
Stoich.:	AB4C32D42 (1)
Weight, g/mol:	420.207628
ΔH_f, kcal/mol:	-239.13
Dipole, Da:	3.75
IP(EA), eV:	-9.11(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-butylcyclohexyl)-4-[2,3-difluoro-4-[(Z)-prop-1-enoxy]phenyl]-2,3-difluorobenzene

Drug info:

PubChemData

Smile

CCCCCCCCCOC1=C(C(=C(C=C1)C2=C(C(=C(C=C2)C3CCC(CC3)CC/C=C/C)F)F)F)F

DOS

IR

Vibrations