Geometry & MOs

Info

ID:	376287
PubChem CID:	134222297
Reduced:	F3O3C22H31 (1)
Stoich.:	A3B3C22D31 (1)
Weight, g/mol:	366.21705
ΔH_f, kcal/mol:	-293.95
Dipole, Da:	2.71
IP(EA), eV:	-9.65(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCC1COC(OC1)C2CCC(CC2)C3=CC(=C(C(=C3)F)OCF)F

DOS

IR

Vibrations