Geometry & MOs

Info

ID:	376394
PubChem CID:	134222406
Reduced:	O2F5C29H41 (1)
Stoich.:	A2B5C29D41 (1)
Weight, g/mol:	510.255721
ΔH_f, kcal/mol:	-385.4
Dipole, Da:	4.11
IP(EA), eV:	-9.65(-0.59)
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)cyclohexyl]benzene

Drug info:

PubChemData

Smile

CCCC1CCC(CC1)C2CCC(CC2)C3CCC(CC3)C(OC4=CC(=C(C(=C4)F)OCF)F)(F)F

DOS

IR

Vibrations