Geometry & MOs

Info

ID:	291822
PubChem CID:	113584924
Reduced:	BrON3C13H20 (1)
Stoich.:	ABC3D13E20 (1)
Weight, g/mol:	315.05824
ΔH_f, kcal/mol:	-15.56
Dipole, Da:	5.78
IP(EA), eV:	-8.73(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-ethyl-5-[(2-methyloxolan-2-yl)methylamino]pyridazin-3-one

Drug info:

PubChemData

Smile

CCN1C(=O)C(=C(C=N1)NC2C(C2(C)C)(C)C)Br

DOS

IR

Vibrations