Geometry & MOs

Info

ID:	396806
PubChem CID:	135029251
Reduced:	PN6O7C8H15 (1)
Stoich.:	AB6C7D8E15 (1)
Weight, g/mol:	160.097368
ΔH_f, kcal/mol:	-304.38
Dipole, Da:	3.48
IP(EA), eV:	-9.81(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-azoniabicyclo[4.2.0]octane-3,4,5-triol

Drug info:

PubChemData

Smile

C([C@H]([C@H]([C@H](/C=N/C1=NC(=NC(=N1)N)N)O)O)O)OP(=O)(O)O

DOS

IR

Vibrations