Geometry & MOs

Info

ID:	402563
PubChem CID:	135056399
Reduced:	O11C13H26 (1)
Stoich.:	A11B13C26 (1)
Weight, g/mol:	248.127326
ΔH_f, kcal/mol:	-514.42
Dipole, Da:	3.11
IP(EA), eV:	-10.22(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

azanium;1,5-dicyano-4-oxo-3-azaspiro[5.5]undec-2-en-2-olate

Drug info:

PubChemData

Smile

C1[C@@H]([C@@H]([C@@H]([C@@H]([C@@H]1O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)O)O)O)O)O)CO.O

DOS

IR

Vibrations