Geometry & MOs

Info

ID:	147253
PubChem CID:	53786907
Reduced:	OSN2C9H14 (1)
Stoich.:	ABC2D9E14 (1)
Weight, g/mol:	409.314478
ΔH_f, kcal/mol:	-4.8
Dipole, Da:	3.73
IP(EA), eV:	-9.02(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[2-[4-(7-fluorohept-4-enyl)cyclohexyl]ethyl]cyclohexyl]benzonitrile

Drug info:

PubChemData

Smile

CN1C=CN=C1C(=S)CCCCO

DOS

IR

Vibrations