Geometry & MOs

Info

ID:	376826
PubChem CID:	134222853
Reduced:	O2F7C30H35 (1)
Stoich.:	A2B7C30D35 (1)
Weight, g/mol:	542.149205
ΔH_f, kcal/mol:	-430.26
Dipole, Da:	8.59
IP(EA), eV:	-9.65(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-4-[4-(ethoxymethyl)cyclohexen-1-yl]-2,3-difluorobenzene

Drug info:

PubChemData

Smile

CCOCC1CCC(CC1)CCC2CCC(CC2)C3=CC(=C(C(=C3)F)C(OC4=CC(=C(C(=C4)F)F)F)(F)F)F

DOS

IR

Vibrations