Geometry & MOs

Info

ID:	376319
PubChem CID:	134222329
Reduced:	O3F5C22H23 (1)
Stoich.:	A3B5C22D23 (1)
Weight, g/mol:	342.179522
ΔH_f, kcal/mol:	-349.49
Dipole, Da:	5.28
IP(EA), eV:	-9.64(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-1-[4-(fluoromethoxy)phenyl]-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene

Drug info:

PubChemData

Smile

CCCC1CCC(OC1)C2=CC=C(C=C2)C(OC3=CC(=C(C(=C3)F)OCF)F)(F)F

DOS

IR

Vibrations