Geometry & MOs

Info

ID:	376401
PubChem CID:	134222413
Reduced:	O2F5C35H39 (1)
Stoich.:	A2B5C35D39 (1)
Weight, g/mol:	520.183699
ΔH_f, kcal/mol:	-316.85
Dipole, Da:	5.49
IP(EA), eV:	-9.26(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-[difluoro-[2-fluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]methoxy]phenyl]-1,3-difluoro-2-(fluoromethoxy)benzene

Drug info:

PubChemData

Smile

CCCC1CCC(CC1)C2CCC(CC2)C3=CC=C(C=C3)C4=CC(=C(C=C4)C(OC5=CC(=C(C=C5)OCF)F)(F)F)F

DOS

IR

Vibrations