Geometry & MOs

Info

ID:	54437
PubChem CID:	17388678
Reduced:	ClN2O5C9H11 (1)
Stoich.:	AB2C5D9E11 (1)
Weight, g/mol:	305.98513
ΔH_f, kcal/mol:	-149.07
Dipole, Da:	6.02
IP(EA), eV:	-10.05(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-(4-hydroxy-3-nitrophenyl)propanoic acid;hydrobromide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1CC(C(=O)O)N)[N+](=O)[O-])O.Cl

DOS

IR

Vibrations