Geometry & MOs

Info

ID:	229353
PubChem CID:	87567460
Reduced:	PI2O5C18H21 (1)
Stoich.:	AB2C5D18E21 (1)
Weight, g/mol:	280.142307
ΔH_f, kcal/mol:	-203.29
Dipole, Da:	1.51
IP(EA), eV:	-8.72(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-2-[[(1Z)-1-(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)ethyl]amino]hexanoic acid

Drug info:

PubChemData

Smile

CCOP(=O)(CCC1=C(C(=CC(=C1)I)I)OC2=CC=C(C=C2)O)OCC

DOS

IR

Vibrations