Geometry & MOs

Info

ID:	208153
PubChem CID:	80501725
Reduced:	BrON3C12H16 (1)
Stoich.:	ABC3D12E16 (1)
Weight, g/mol:	273.195346
ΔH_f, kcal/mol:	-9.73
Dipole, Da:	6.09
IP(EA), eV:	-8.6(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-diethyl-3-(4-ethylpiperazin-1-yl)pyridazine-4-carbonitrile

Drug info:

PubChemData

Smile

CC(C)(CCCN1C=C(C=C(C1=O)Br)N)C#N

DOS

IR

Vibrations