Geometry & MOs

Info

ID:	203984
PubChem CID:	79896558
Reduced:	SO2N3C12H19 (1)
Stoich.:	AB2C3D12E19 (1)
Weight, g/mol:	198.136828
ΔH_f, kcal/mol:	-45.05
Dipole, Da:	5.13
IP(EA), eV:	-8.55(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(methylaminomethyl)piperidin-1-yl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1S(=O)(=O)N)N)N(C)CC2CC2

DOS

IR

Vibrations