Geometry & MOs

Info

ID:	406852
PubChem CID:	135078796
Reduced:	NO2C10H14 (2)
Stoich.:	AB2C10D14 (2)
Weight, g/mol:	361.212732
ΔH_f, kcal/mol:	-124.27
Dipole, Da:	2.88
IP(EA), eV:	-8.8(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(E)-1-(2,4-dimethylpentan-3-yloxy)-3-hydroxy-6-(4-methoxyphenyl)-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)OC)\[O-])/[N+]#N

DOS

IR

Vibrations