Geometry & MOs

Info

ID:	342308
PubChem CID:	127265085
Reduced:	SO2N5C18H29 (1)
Stoich.:	AB2C5D18E29 (1)
Weight, g/mol:	301.167794
ΔH_f, kcal/mol:	-65.21
Dipole, Da:	5.22
IP(EA), eV:	-8.67(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4-methylphenyl)pent-2-enoyl]piperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CCN(C1=NC(=CS1)CN2CCN(CC2)C(=O)C3CCCN3C)C(=O)C

DOS

IR

Vibrations