Geometry & MOs

Info

ID:	260603
PubChem CID:	103197084
Reduced:	ClON3C15H20 (1)
Stoich.:	ABC3D15E20 (1)
Weight, g/mol:	288.147393
ΔH_f, kcal/mol:	-23.02
Dipole, Da:	3.4
IP(EA), eV:	-8.86(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[2-[3-(methylcarbamoyl)piperidin-1-yl]phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CNCC1=C(C=CC=C1Cl)N2CCCC3C2CNC3=O

DOS

IR

Vibrations