Geometry & MOs

Info

ID:	291854
PubChem CID:	113585064
Reduced:	ClON3C13H20 (1)
Stoich.:	ABC3D13E20 (1)
Weight, g/mol:	255.11384
ΔH_f, kcal/mol:	-26.12
Dipole, Da:	5.22
IP(EA), eV:	-8.77(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(but-3-enylamino)-2-butyl-4-chloropyridazin-3-one

Drug info:

PubChemData

Smile

C/C=C/CCNC1=C(C(=O)N(N=C1)CC(C)C)Cl

DOS

IR

Vibrations