Geometry & MOs

Info

ID:	146493
PubChem CID:	53697512
Reduced:	OF5C28H35 (1)
Stoich.:	AB5C28D35 (1)
Weight, g/mol:	341.215493
ΔH_f, kcal/mol:	-266.1
Dipole, Da:	7.01
IP(EA), eV:	-9.53(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[[4-(4-fluorophenyl)cyclohexyl]methoxy]cyclohexyl]prop-2-enenitrile

Drug info:

PubChemData

Smile

CCCC1CCC(CC1)CCC2CCC(CC2)C=CC#CC3=CC(=C(C(=C3)F)OC(F)(F)F)F

DOS

IR

Vibrations