Geometry & MOs

Info

ID:	376770
PubChem CID:	134222796
Reduced:	O3F8H26C29 (1)
Stoich.:	A3B8C26D29 (1)
Weight, g/mol:	530.205577
ΔH_f, kcal/mol:	-485.68
Dipole, Da:	7.48
IP(EA), eV:	-9.77(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[difluoro-(3,4,5-trifluorophenoxy)methyl]-4-[4-[4-(ethoxymethyl)cyclohexyl]cyclohexen-1-yl]-2,3-difluorobenzene

Drug info:

PubChemData

Smile

CCOCC1CCC(CC1)C2=C(C(=C(C=C2)C3=CC=C(C=C3)C(OC4=CC(=C(C=C4)OC(F)(F)F)F)(F)F)F)F

DOS

IR

Vibrations