Geometry & MOs

Info

ID:	291806
PubChem CID:	113584858
Reduced:	ClO2N3C12H18 (1)
Stoich.:	AB2C3D12E18 (1)
Weight, g/mol:	311.03817
ΔH_f, kcal/mol:	-77.7
Dipole, Da:	5.83
IP(EA), eV:	-8.94(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-ethyl-5-[2-(1H-imidazol-5-yl)ethylamino]pyridazin-3-one

Drug info:

PubChemData

Smile

CCN1C(=O)C(=C(C=N1)NCC2(CCCC2)O)Cl

DOS

IR

Vibrations