Geometry & MOs

Info

ID:	191500
PubChem CID:	78154644
Reduced:	ON2C9H14 (2)
Stoich.:	AB2C9D14 (2)
Weight, g/mol:	421.198814
ΔH_f, kcal/mol:	-51.46
Dipole, Da:	6.19
IP(EA), eV:	-8.59(0.41)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(2,3-dioxoquinoxalin-1-ium-1-yl)ethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN1CCCC1CNC(=O)C2CC(NN2)C3=CC=C(C=C3)OC

DOS

IR

Vibrations