Geometry & MOs

Info

ID:	27809
PubChem CID:	823690
Reduced:	N3O3C9H13 (1)
Stoich.:	A3B3C9D13 (1)
Weight, g/mol:	256.080769
ΔH_f, kcal/mol:	-23.32
Dipole, Da:	1.71
IP(EA), eV:	-10.11(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-5-hydroxyimino-4-(2-hydroxyiminopropyl)-1-oxido-6,7-dihydro-2,1,3-benzoxadiazol-1-ium-4-ol

Drug info:

PubChemData

Smile

C[C@H]1C[C@]2([C@@H](N1O)CCC3=NON=C32)O

DOS

IR

Vibrations