Geometry & MOs

Info

ID:	291889
PubChem CID:	113585175
Reduced:	ClO2N3C12H18 (1)
Stoich.:	AB2C3D12E18 (1)
Weight, g/mol:	317.0375
ΔH_f, kcal/mol:	-76.5
Dipole, Da:	4.73
IP(EA), eV:	-8.94(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-(2-hydroxyethyl)-5-[(3-methyloxolan-3-yl)amino]pyridazin-3-one

Drug info:

PubChemData

Smile

CC(C)N1C(=O)C(=C(C=N1)NC2(CCOC2)C)Cl

DOS

IR

Vibrations