Geometry & MOs

Info

ID:	169676
PubChem CID:	75135552
Reduced:	ClO3N4C22H27 (1)
Stoich.:	AB3C4D22E27 (1)
Weight, g/mol:	227.08254
ΔH_f, kcal/mol:	-82.08
Dipole, Da:	3.49
IP(EA), eV:	-9.1(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-5-(cyclopentylmethylamino)-4H-pyridazin-3-one

Drug info:

PubChemData

Smile

CCN1C2NN=C(N2C3CCCCC3C1=O)COC4=C5C(=O)CC(C5=C(C=C4)Cl)C

DOS

IR

Vibrations