Geometry & MOs

Info

ID:	376823
PubChem CID:	134222850
Reduced:	O3F7C29H33 (1)
Stoich.:	A3B7C29D33 (1)
Weight, g/mol:	542.149205
ΔH_f, kcal/mol:	-454.87
Dipole, Da:	7.78
IP(EA), eV:	-9.68(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-difluorophenyl)-4-[[4-[4-(ethoxymethyl)cyclohexen-1-yl]-2,6-difluorophenyl]-difluoromethoxy]-2,3-difluorobenzene

Drug info:

PubChemData

Smile

CCOCC1CCC(CC1)C2CCC(CC2)COC3=C(C(=C(C=C3)C(OC4=CC(=C(C(=C4)F)F)F)(F)F)F)F

DOS

IR

Vibrations