Geometry & MOs

Info

ID:	291838
PubChem CID:	113585001
Reduced:	ClO2N4C11H13 (1)
Stoich.:	AB2C4D11E13 (1)
Weight, g/mol:	269.067952
ΔH_f, kcal/mol:	17.91
Dipole, Da:	0.93
IP(EA), eV:	-8.97(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-chloro-3-oxo-2-prop-2-ynylpyridazin-4-yl)amino]ethylurea

Drug info:

PubChemData

Smile

C#CCN1C(=O)C(=C(C=N1)Cl)NN2CCOCC2

DOS

IR

Vibrations