Geometry & MOs

Info

ID:	242440
PubChem CID:	96100059
Reduced:	SN4O4C13H20 (1)
Stoich.:	AB4C4D13E20 (1)
Weight, g/mol:	303.133139
ΔH_f, kcal/mol:	-92.38
Dipole, Da:	5.45
IP(EA), eV:	-9.76(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one

Drug info:

PubChemData

Smile

CS(=O)(=O)NCCC(=O)N1CCC[C@H]1C2=NOC(=N2)C3CC3

DOS

IR

Vibrations