Geometry & MOs

Info

ID:	150990
PubChem CID:	53790687
Reduced:	O3H16C26 (1)
Stoich.:	A3B16C26 (1)
Weight, g/mol:	408.264
ΔH_f, kcal/mol:	-5.48
Dipole, Da:	4.43
IP(EA), eV:	-9.09(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[4-(4-ethylcyclohexyl)cyclohexyl]but-2-enyl]-4-(trifluoromethoxy)benzene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C3C(=CC=C2)C4(C5=CC=CC=C5OC6=CC=CC=C64)OC3=O

DOS

IR

Vibrations