Geometry & MOs

Info

ID:	376806
PubChem CID:	134222832
Reduced:	O2F7H23C27 (1)
Stoich.:	A2B7C23D27 (1)
Weight, g/mol:	508.183699
ΔH_f, kcal/mol:	-368.79
Dipole, Da:	9.47
IP(EA), eV:	-9.65(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[4-[4-[4-(ethoxymethyl)cyclohexyl]phenyl]-2-fluorophenyl]-difluoromethoxy]-1,2,3-trifluorobenzene

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

DOS

IR

Vibrations