Geometry & MOs

Info

ID:	230291
PubChem CID:	87570592
Reduced:	PdC3O3H6 (1)
Stoich.:	AB3C3D6 (1)
Weight, g/mol:	321.123062
ΔH_f, kcal/mol:	-67.6
Dipole, Da:	3.37
IP(EA), eV:	-7.48(0.13)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5-(3'-chlorospiro[1,4-oxazinan-4-ium-4,7'-2,4-diaza-7-azoniabicyclo[4.1.0]hepta-1,3,5-triene]-5'-yl)-5-cyclopropyl-1,2-dihydropyrazol-3-amine

Drug info:

PubChemData

Smile

CC(C(=O)O)O.[Pd]

DOS

IR

Vibrations