Geometry & MOs

Info

ID:	291875
PubChem CID:	113585125
Reduced:	ClON3C12H14 (1)
Stoich.:	ABC3D12E14 (1)
Weight, g/mol:	271.108754
ΔH_f, kcal/mol:	20.51
Dipole, Da:	4.72
IP(EA), eV:	-8.96(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-5-(2-ethoxypropylamino)-2-prop-2-enylpyridazin-3-one

Drug info:

PubChemData

Smile

C=CCN1C(=O)C(=C(C=N1)NC2CC=CC2)Cl

DOS

IR

Vibrations