Geometry & MOs

Info

ID:	214326
PubChem CID:	84975119
Reduced:	Cl2O3N4C17H22 (1)
Stoich.:	A2B3C4D17E22 (1)
Weight, g/mol:	344.233802
ΔH_f, kcal/mol:	-128.64
Dipole, Da:	4.18
IP(EA), eV:	-9.36(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[2-(N-cyclohexylanilino)-2-oxoethyl]piperidin-1-ium-3-carboxamide

Drug info:

PubChemData

Smile

CN(CC(=O)NC1=C(C=CC=C1Cl)Cl)C(=O)CN2CCCC(C2)C(=O)N

DOS

IR

Vibrations