Geometry & MOs

Info

ID:	376352
PubChem CID:	134222363
Reduced:	O5F8H22C28 (1)
Stoich.:	A5B8C22D28 (1)
Weight, g/mol:	522.199349
ΔH_f, kcal/mol:	-532.72
Dipole, Da:	12.0
IP(EA), eV:	-9.6(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[difluoro-[3-fluoro-4-(fluoromethoxy)phenoxy]methyl]cyclohexyl]-2-fluoro-4-(2-fluoro-4-propylphenyl)benzene

Drug info:

PubChemData

Smile

CCCC12COC(OC1)(OC2)C3=CC(=C(C=C3)C4=CC(=C(C(=C4)F)C(OC5=CC(=C(C(=C5)F)OCF)F)(F)F)F)F

DOS

IR

Vibrations