Geometry & MOs

Info

ID:	407184
PubChem CID:	135079509
Reduced:	IN2O3C13H15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	375.02056
ΔH_f, kcal/mol:	-61.6
Dipole, Da:	3.57
IP(EA), eV:	-9.56(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(Z)-1,3-dihydroxy-3-(2-iodophenyl)-1-[(2-methylpropan-2-yl)oxy]prop-1-ene-2-diazonium

Drug info:

PubChemData

Smile

CC(C)(C)O/C(=C(/C(C1=CC=CC=C1I)O)\[N+]#N)/[O-]

DOS

IR

Vibrations