Geometry & MOs

Info

ID:	376814
PubChem CID:	134222840
Reduced:	O2F8H22C27 (1)
Stoich.:	A2B8C22D27 (1)
Weight, g/mol:	544.164855
ΔH_f, kcal/mol:	-416.15
Dipole, Da:	10.05
IP(EA), eV:	-9.77(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-difluorophenyl)-4-[[4-[4-(ethoxymethyl)cyclohexyl]-2,3-difluorophenyl]-difluoromethoxy]-2,3-difluorobenzene

Drug info:

PubChemData

Smile

COCC1CCC(CC1)C2=CC(=C(C=C2)C3=CC(=C(C(=C3)F)C(OC4=CC(=C(C(=C4)F)F)F)(F)F)F)F

DOS

IR

Vibrations