Geometry & MOs

Info

ID:	184000
PubChem CID:	77101185
Reduced:	N2O3C13H22 (1)
Stoich.:	A2B3C13D22 (1)
Weight, g/mol:	240.147393
ΔH_f, kcal/mol:	-139.66
Dipole, Da:	3.92
IP(EA), eV:	-8.97(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(=CCN1CCC(CC1)C(=O)N)C(=O)OC

DOS

IR

Vibrations