Geometry & MOs

Info

ID:	291872
PubChem CID:	113585122
Reduced:	ClO2N3C12H18 (1)
Stoich.:	AB2C3D12E18 (1)
Weight, g/mol:	267.11384
ΔH_f, kcal/mol:	-54.8
Dipole, Da:	6.54
IP(EA), eV:	-8.95(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butyl-4-chloro-5-(cyclopent-3-en-1-ylamino)pyridazin-3-one

Drug info:

PubChemData

Smile

CC(CNC1=C(C(=O)N(N=C1)CCO)Cl)C2CC2

DOS

IR

Vibrations