Geometry & MOs

Info

ID:	297433
PubChem CID:	117617294
Reduced:	O2F3C25H35 (1)
Stoich.:	A2B3C25D35 (1)
Weight, g/mol:	456.265143
ΔH_f, kcal/mol:	-245.08
Dipole, Da:	2.66
IP(EA), eV:	-9.05(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2,3-difluoro-3-[4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]propoxy]-4-ethoxy-2,3-difluorobenzene

Drug info:

PubChemData

Smile

CC1CCC(OC1)C2CCC(CC2)C(C(COC3=CC(=C(C=C3)CCC=C)F)F)F

DOS

IR

Vibrations