Geometry & MOs

Info

ID:	376818
PubChem CID:	134222844
Reduced:	O2F7C29H31 (1)
Stoich.:	A2B7C29D31 (1)
Weight, g/mol:	556.164855
ΔH_f, kcal/mol:	-403.63
Dipole, Da:	6.72
IP(EA), eV:	-9.68(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOCCC1CCC(CC1)C2CCC(=CC2)C3=CC(=C(C(=C3)F)C(OC4=CC(=C(C(=C4)F)F)F)(F)F)F

DOS

IR

Vibrations