Geometry & MOs

Info

ID:	291827
PubChem CID:	113584949
Reduced:	BrO2N4H9C11 (1)
Stoich.:	AB2C4D9E11 (1)
Weight, g/mol:	270.051968
ΔH_f, kcal/mol:	83.11
Dipole, Da:	7.17
IP(EA), eV:	-9.18(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-(2-hydroxyethyl)-5-(1,2-oxazol-3-ylmethylamino)pyridazin-3-one

Drug info:

PubChemData

Smile

C#CCN1C(=O)C(=C(C=N1)NCC2=NOC=C2)Br

DOS

IR

Vibrations