Geometry & MOs

Info

ID:	173464
PubChem CID:	75641065
Reduced:	SO2N6C20H30 (1)
Stoich.:	AB2C6D20E30 (1)
Weight, g/mol:	287.047984
ΔH_f, kcal/mol:	87.36
Dipole, Da:	2.15
IP(EA), eV:	-8.98(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2,4-dichlorophenyl)methyl]piperidin-1-ium-2-carboxylate

Drug info:

PubChemData

Smile

CCCN1C(=O)C2CCCCC2N3C1=NN=C3SCC(=O)NC(C)(C#N)C(C)C

DOS

IR

Vibrations