Geometry & MOs

Info

ID:	376816
PubChem CID:	134222842
Reduced:	O2F7C30H33 (1)
Stoich.:	A2B7C30D33 (1)
Weight, g/mol:	572.196155
ΔH_f, kcal/mol:	-407.26
Dipole, Da:	8.94
IP(EA), eV:	-9.66(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOCC1CCC(CC1)/C=C/C2CCC(CC2)C3=CC(=C(C(=C3)F)C(OC4=CC(=C(C(=C4)F)F)F)(F)F)F

DOS

IR

Vibrations