Geometry & MOs

Info

ID:	376355
PubChem CID:	134222366
Reduced:	O2F5C29H33 (1)
Stoich.:	A2B5C29D33 (1)
Weight, g/mol:	510.255721
ΔH_f, kcal/mol:	-318.56
Dipole, Da:	5.53
IP(EA), eV:	-9.39(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC1CCC(CC1)C2CCC(=CC2)C3=CC(=C(C=C3)C(OC4=CC(=C(C=C4)OCF)F)(F)F)F

DOS

IR

Vibrations