Geometry & MOs

Info

ID:	183307
PubChem CID:	77005666
Reduced:	OSN3C11H19 (1)
Stoich.:	ABC3D11E19 (1)
Weight, g/mol:	197.141579
ΔH_f, kcal/mol:	13.24
Dipole, Da:	1.39
IP(EA), eV:	-8.86(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-(4-methylpiperidin-1-yl)but-2-enoic acid

Drug info:

PubChemData

Smile

CCN(CCC1=CC=CS1)CCC(=NO)N

DOS

IR

Vibrations