Geometry & MOs

Info

ID:	137886
PubChem CID:	52279635
Reduced:	O2N5C17H28 (1)
Stoich.:	A2B5C17D28 (1)
Weight, g/mol:	333.216475
ΔH_f, kcal/mol:	-82.65
Dipole, Da:	3.38
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.942705
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)C1=[NH+]C=C(C=C1)NC(=O)N2CCC(CC2)CC(=O)N

DOS

IR

Vibrations