Geometry & MOs

Info

ID:	290103
PubChem CID:	104408505
Reduced:	ClN3O3C13H16 (1)
Stoich.:	AB3C3D13E16 (1)
Weight, g/mol:	292.189926
ΔH_f, kcal/mol:	-45.02
Dipole, Da:	8.89
IP(EA), eV:	-9.3(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]-1-propylpyrazin-2-one

Drug info:

PubChemData

Smile

CC(C(=O)N1CCCC1)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl

DOS

IR

Vibrations