Geometry & MOs

Info

ID:	326486
PubChem CID:	126687655
Reduced:	INOC6H12 (1)
Stoich.:	ABCD6E12 (1)
Weight, g/mol:	169.092521
ΔH_f, kcal/mol:	-40.75
Dipole, Da:	2.1
IP(EA), eV:	-8.7(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-5-prop-1-en-2-ylsulfanyl-1,2,3,6-tetrahydropyridine

Drug info:

PubChemData

Smile

C1CN(CCC1CO)I

DOS

IR

Vibrations