Geometry & MOs

Info

ID:	150876
PubChem CID:	53790573
Reduced:	ClO3C11H11 (1)
Stoich.:	AB3C11D11 (1)
Weight, g/mol:	431.223613
ΔH_f, kcal/mol:	-90.63
Dipole, Da:	1.49
IP(EA), eV:	-8.66(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-5-[4-[2-[4-[4-(trifluoromethyl)phenyl]cyclohexyl]ethenyl]cyclohexyl]penta-2,4-dienenitrile

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1OCCCCl)OC=C2O

DOS

IR

Vibrations