Geometry & MOs

Info

ID:	224729
PubChem CID:	85349059
Reduced:	SN3C12H13 (1)
Stoich.:	AB3C12D13 (1)
Weight, g/mol:	232.052917
ΔH_f, kcal/mol:	82.39
Dipole, Da:	9.61
IP(EA), eV:	-8.69(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(2-chloropyridin-1-ium-1-yl)-1-phenylethenol

Drug info:

PubChemData

Smile

CN1CCC2C1=CC(=C(C2SC)C#N)C#N

DOS

IR

Vibrations