Geometry & MOs

Info

ID:	209457
PubChem CID:	80676122
Reduced:	BrSO2N3C8H12 (1)
Stoich.:	ABC2D3E8F12 (1)
Weight, g/mol:	255.03711
ΔH_f, kcal/mol:	-53.24
Dipole, Da:	1.56
IP(EA), eV:	-9.98(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(bromomethyl)piperidin-1-yl]pyridazine

Drug info:

PubChemData

Smile

C1CC(CN(C1)S(=O)(=O)C2=CN=CN2)Br

DOS

IR

Vibrations