Geometry & MOs

Info

ID:	204858
PubChem CID:	80021917
Reduced:	OSN2C6H8 (1)
Stoich.:	ABC2D6E8 (1)
Weight, g/mol:	212.061949
ΔH_f, kcal/mol:	-0.78
Dipole, Da:	2.91
IP(EA), eV:	-9.02(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-(sulfanylmethyl)cyclopropyl]methyl]-1H-pyridazine-3,6-dione

Drug info:

PubChemData

Smile

C1=CC(=O)N(N=C1)CCS

DOS

IR

Vibrations