Geometry & MOs

Info

ID:	291847
PubChem CID:	113585026
Reduced:	ClO2N3C12H20 (1)
Stoich.:	AB2C3D12E20 (1)
Weight, g/mol:	251.08254
ΔH_f, kcal/mol:	-82.32
Dipole, Da:	6.67
IP(EA), eV:	-8.86(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(but-2-ynylamino)-5-chloro-2-(cyclopropylmethyl)pyridazin-3-one

Drug info:

PubChemData

Smile

CCCN1C(=O)C(=C(C=N1)NCCOC(C)C)Cl

DOS

IR

Vibrations