Geometry & MOs

Info

ID:	324379
PubChem CID:	126677545
Reduced:	ClN4O4H21C22 (1)
Stoich.:	AB4C4D21E22 (1)
Weight, g/mol:	191.079373
ΔH_f, kcal/mol:	-36.09
Dipole, Da:	5.18
IP(EA), eV:	-9.05(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-7-(hydroxyamino)-7-oxoheptanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Cl)C2=CC=NO2)OCC3=NN(C4=C3C=CC=N4)C(=O)OC(C)(C)C

DOS

IR

Vibrations