Geometry & MOs

Info

ID:	149248
PubChem CID:	53788920
Reduced:	NO2C10H14 (2)
Stoich.:	AB2C10D14 (2)
Weight, g/mol:	709.8761
ΔH_f, kcal/mol:	-117.06
Dipole, Da:	2.83
IP(EA), eV:	-8.29(0.13)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

[(1R)-1-carboxy-2-[4-(4-hydroxyphenoxy)phenyl]-1-iodoethyl]-(2-methylpropyl)azanium;diiodide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CC(CC2=CC(=C(C=C2)OC)OC)(CN)N)OC

DOS

IR

Vibrations