Geometry & MOs

Info

ID:	220733
PubChem CID:	85230800
Reduced:	NO2C5H7 (2)
Stoich.:	AB2C5D7 (2)
Weight, g/mol:	227.103182
ΔH_f, kcal/mol:	-123.4
Dipole, Da:	5.55
IP(EA), eV:	-10.02(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-hydroxy-4-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)but-1-ene-1-diazonium

Drug info:

PubChemData

Smile

CC12COC(OC1)(OC2)CCC(=O)C=[N+]=[N-]

DOS

IR

Vibrations