Geometry & MOs

Info

ID:	406860
PubChem CID:	135078804
Reduced:	N2O5C21H28 (1)
Stoich.:	A2B5C21D28 (1)
Weight, g/mol:	389.207647
ΔH_f, kcal/mol:	-169.4
Dipole, Da:	1.7
IP(EA), eV:	-10.05(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(E)-1-(2,4-dimethylpentan-3-yloxy)-3-hydroxy-6-(4-methoxycarbonylphenyl)-1-oxohex-2-ene-2-diazonium

Drug info:

PubChemData

Smile

CC(C)C(C(C)C)OC(=O)/C(=C(/CCCC1=CC=C(C=C1)C(=O)OC)\[O-])/[N+]#N

DOS

IR

Vibrations