Geometry & MOs

Info

ID:	376726
PubChem CID:	134222751
Reduced:	O2F7H19C21 (1)
Stoich.:	A2B7C19D21 (1)
Weight, g/mol:	528.133555
ΔH_f, kcal/mol:	-393.59
Dipole, Da:	8.39
IP(EA), eV:	-9.77(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-1,3-difluoro-5-[4-(methoxymethylidene)cyclohexyl]benzene

Drug info:

PubChemData

Smile

COCC1CCC(CC1)C2=CC(=C(C(=C2)F)C(OC3=CC(=C(C(=C3)F)F)F)(F)F)F

DOS

IR

Vibrations