Geometry & MOs

Info

ID:	137885
PubChem CID:	52279634
Reduced:	O2N5C22H29 (1)
Stoich.:	A2B5C22D29 (1)
Weight, g/mol:	334.2243
ΔH_f, kcal/mol:	-32.11
Dipole, Da:	6.53
IP(EA), eV:	-7.85(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-(2-amino-2-oxoethyl)-N-[6-(diethylamino)pyridin-1-ium-3-yl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C1=NC=C(C=C1)NC(=O)N[C@H](C)C2=CC=C(C=C2)NC(=O)C3CC3

DOS

IR

Vibrations