Geometry & MOs

Info

ID:	376303
PubChem CID:	134222313
Reduced:	OF4H26C27 (1)
Stoich.:	AB4C26D27 (1)
Weight, g/mol:	394.24835
ΔH_f, kcal/mol:	-190.02
Dipole, Da:	5.13
IP(EA), eV:	-9.3(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-difluoro-2-(fluoromethoxy)-5-[4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexyl]benzene

Drug info:

PubChemData

Smile

CCC1CCC(CC1)C2=CC=C(C=C2)C3=CC(=C(C=C3)C4=CC(=C(C(=C4)F)OCF)F)F

DOS

IR

Vibrations