Geometry & MOs

Info

ID:	372105
PubChem CID:	131293269
Reduced:	SN4H6C9 (1)
Stoich.:	AB4C6D9 (1)
Weight, g/mol:	202.090627
ΔH_f, kcal/mol:	115.68
Dipole, Da:	4.51
IP(EA), eV:	-9.17(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-fluorophenyl)-1,2,3,6-tetrahydropyridine-4-carbonitrile

Drug info:

PubChemData

Smile

C1=CSC(=C1)NC2=NC(=CN=C2)C#N

DOS

IR

Vibrations