Geometry & MOs

Info

ID:	376354
PubChem CID:	134222365
Reduced:	O4F7C27H29 (1)
Stoich.:	A4B7C27D29 (1)
Weight, g/mol:	508.240071
ΔH_f, kcal/mol:	-495.16
Dipole, Da:	6.04
IP(EA), eV:	-9.66(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[difluoro-[3-fluoro-4-(fluoromethoxy)phenoxy]methyl]-2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]benzene

Drug info:

PubChemData

Smile

CCCC1CCC(CC1)C2COC(OC2)C3=CC(=C(C(=C3)F)C(OC4=CC(=C(C(=C4)F)OCF)F)(F)F)F

DOS

IR

Vibrations