Geometry & MOs

Info

ID:	54449
PubChem CID:	17388696
Reduced:	NaN2O6H13C16 (1)
Stoich.:	AB2C6D13E16 (1)
Weight, g/mol:	276.051299
ΔH_f, kcal/mol:	-156.14
Dipole, Da:	8.31
IP(EA), eV:	-8.57(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=C/C(=C/NC(C(C2=CC=C(C=C2)[N+](=O)[O-])O)C(=O)[O-])/C(=O)C=C1.[Na+]

DOS

IR

Vibrations