Geometry & MOs

Info

ID:	26795
PubChem CID:	798410
Reduced:	ClO3N5H10C15 (1)
Stoich.:	AB3C5D10E15 (1)
Weight, g/mol:	329.126323
ΔH_f, kcal/mol:	86.47
Dipole, Da:	4.69
IP(EA), eV:	-10.26(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(2R)-2-hydroxy-3-(3-methylphenoxy)propyl]carbamoyl]benzoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=NN(N=N2)CC(=O)C3=CC=C(C=C3)Cl)[N+](=O)[O-]

DOS

IR

Vibrations