Geometry & MOs

Info

ID:	376782
PubChem CID:	134222808
Reduced:	O3F7H27C29 (1)
Stoich.:	A3B7C27D29 (1)
Weight, g/mol:	526.174277
ΔH_f, kcal/mol:	-425.61
Dipole, Da:	8.4
IP(EA), eV:	-9.66(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(3,4-difluorophenyl)-3-fluorophenoxy]-difluoromethyl]-5-[4-(ethoxymethyl)cyclohexyl]-1,3-difluorobenzene

Drug info:

PubChemData

Smile

CCOCOCC1CCC(CC1)C2=CC=C(C=C2)C3=CC(=C(C(=C3)F)C(OC4=CC(=C(C(=C4)F)F)F)(F)F)F

DOS

IR

Vibrations