Geometry & MOs

Info

ID:	341191
PubChem CID:	127263626
Reduced:	ClNO3C13H20 (1)
Stoich.:	ABC3D13E20 (1)
Weight, g/mol:	273.113171
ΔH_f, kcal/mol:	-155.55
Dipole, Da:	3.7
IP(EA), eV:	-8.89(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-amino-2-(4-propan-2-yloxyphenyl)propanoate;hydrochloride

Drug info:

PubChemData

Smile

CC(C)OC1=CC=C(C=C1)C(C)(C(=O)OC)N.Cl

DOS

IR

Vibrations