Geometry & MOs

Info

ID:	371800
PubChem CID:	131271702
Reduced:	BrNO3H8C10 (1)
Stoich.:	ABC3D8E10 (1)
Weight, g/mol:	215.046154
ΔH_f, kcal/mol:	-70.11
Dipole, Da:	5.44
IP(EA), eV:	-10.54(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-5-(3-hydroxypyrrolidin-1-yl)-4H-pyridazin-3-one

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=C(C(=C1)Br)CO)C#N

DOS

IR

Vibrations