Geometry & MOs

Info

ID:	291826
PubChem CID:	113584947
Reduced:	ClO2N3C11H12 (1)
Stoich.:	AB2C3D11E12 (1)
Weight, g/mol:	307.99089
ΔH_f, kcal/mol:	9.57
Dipole, Da:	1.47
IP(EA), eV:	-9.06(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-5-(1,2-oxazol-3-ylmethylamino)-2-prop-2-ynylpyridazin-3-one

Drug info:

PubChemData

Smile

C#CCN1C(=O)C(=C(C=N1)Cl)NC2CCOC2

DOS

IR

Vibrations