Geometry & MOs

Info

ID:	137889
PubChem CID:	52279638
Reduced:	O3N5C20H27 (1)
Stoich.:	A3B5C20D27 (1)
Weight, g/mol:	369.240285
ΔH_f, kcal/mol:	-83.91
Dipole, Da:	4.69
IP(EA), eV:	-7.94(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[6-(diethylamino)pyridin-1-ium-3-yl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C1=NC=C(C=C1)NC(=O)NCC2=CC(=CC=C2)NC(=O)COC

DOS

IR

Vibrations