Geometry & MOs

Info

ID:	182909
PubChem CID:	76954148
Reduced:	ON2C9H18 (1)
Stoich.:	AB2C9D18 (1)
Weight, g/mol:	287.152144
ΔH_f, kcal/mol:	-48.61
Dipole, Da:	3.57
IP(EA), eV:	-9.22(0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[3-(4-methylphenyl)prop-2-enoyl]piperidin-3-yl]acetic acid

Drug info:

PubChemData

Smile

CCC=C(C)C(=O)N(C)CCN

DOS

IR

Vibrations