Geometry & MOs

Info

ID:	405144
PubChem CID:	135072779
Reduced:	ClN2O4C16H17 (1)
Stoich.:	AB2C4D16E17 (1)
Weight, g/mol:	337.09551
ΔH_f, kcal/mol:	-110.14
Dipole, Da:	2.09
IP(EA), eV:	-10.06(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(E)-6-(4-chlorophenyl)-3-hydroxy-1-[(2-methylpropan-2-yl)oxy]-1,6-dioxohex-2-ene-2-diazonium

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations