Geometry & MOs

Info

ID:	184018
PubChem CID:	77102267
Reduced:	SN2O3C10H14 (1)
Stoich.:	AB2C3D10E14 (1)
Weight, g/mol:	212.152478
ΔH_f, kcal/mol:	-73.4
Dipole, Da:	3.68
IP(EA), eV:	-9.28(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-aminopiperidin-1-yl)-2-ethylbut-2-enoic acid

Drug info:

PubChemData

Smile

CCC(=CCSC1=NN=C(O1)C)C(=O)OC

DOS

IR

Vibrations