Geometry & MOs

Info

ID:	291853
PubChem CID:	113585059
Reduced:	BrClN3O3C10H11 (1)
Stoich.:	ABC3D3E10F11 (1)
Weight, g/mol:	269.12949
ΔH_f, kcal/mol:	-73.37
Dipole, Da:	4.64
IP(EA), eV:	-9.35(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-(2-methylpropyl)-5-[[(E)-pent-3-enyl]amino]pyridazin-3-one

Drug info:

PubChemData

Smile

COC(=O)CN1C(=O)C(=C(C=N1)NCC(=C)Br)Cl

DOS

IR

Vibrations