Geometry & MOs

Info

ID:	126342
PubChem CID:	50960585
Reduced:	NC3H3 (5)
Stoich.:	AB3C3 (5)
Weight, g/mol:	267.088688
ΔH_f, kcal/mol:	114.86
Dipole, Da:	2.3
IP(EA), eV:	-8.95(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-chloropyridazin-3-yl)-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one

Drug info:

PubChemData

Smile

C1CC2=C(C1)NN=C2C3=NNC(=N3)CC4=CC=CC=C4

DOS

IR

Vibrations