Geometry & MOs

Info

ID:	127080
PubChem CID:	50990303
Reduced:	NOC15H19 (1)
Stoich.:	ABC15D19 (1)
Weight, g/mol:	198.051481
ΔH_f, kcal/mol:	-24.47
Dipole, Da:	2.53
IP(EA), eV:	-8.96(0.32)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(Z)-1-hydroxy-3-oxo-1-(2-oxo-1,3-oxazolidin-3-yl)but-1-ene-2-diazonium

Drug info:

PubChemData

Smile

C1CC(=O)CC2C1CN(C2)CC3=CC=CC=C3

DOS

IR

Vibrations