Geometry & MOs

Info

ID:	271951
PubChem CID:	103704733
Reduced:	NSO5C12H15 (1)
Stoich.:	ABC5D12E15 (1)
Weight, g/mol:	184.067034
ΔH_f, kcal/mol:	-118.51
Dipole, Da:	5.62
IP(EA), eV:	-8.88(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-pyridazin-3-ylsulfanylbutan-2-ol

Drug info:

PubChemData

Smile

CC(C(C)SC1=CC2=C(C=C1[N+](=O)[O-])OCCO2)O

DOS

IR

Vibrations