Geometry & MOs

Info

ID:	125325
PubChem CID:	50920040
Reduced:	OZnN6C40H52 (1)
Stoich.:	ABC6D40E52 (1)
Weight, g/mol:	431.8629
ΔH_f, kcal/mol:	201.9
Dipole, Da:	29.13
IP(EA), eV:	-6.04(-2.25)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

dioxidanium;cyclobutane-1,2,3,4-tetrol;manganese;trihydrate

Drug info:

PubChemData

Smile

CC(C)(C)C1C2=NC(=C(C3=CC=C([N-]3)C(C4=CC=C([N-]4)/C(=C\5/C=CC1=N5)/C(C)(C)C)(C(C)(C)C)OC)C(C)(C)C)C=C2.C1=CN=CN1.[Zn+2]

DOS

IR

Vibrations