Geometry & MOs

Info

ID:	373671
PubChem CID:	131318568
Reduced:	ClOS2C11H11 (1)
Stoich.:	ABC2D11E11 (1)
Weight, g/mol:	200.094963
ΔH_f, kcal/mol:	-14.37
Dipole, Da:	3.58
IP(EA), eV:	-8.36(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C(=CS2)CCl)SC

DOS

IR

Vibrations