Geometry & MOs

Info

ID:	341193
PubChem CID:	127263628
Reduced:	NO5C17H25 (1)
Stoich.:	AB5C17D25 (1)
Weight, g/mol:	245.081871
ΔH_f, kcal/mol:	-236.34
Dipole, Da:	7.55
IP(EA), eV:	-9.16(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-amino-2-(4-methoxyphenyl)propanoate;hydrochloride

Drug info:

PubChemData

Smile

CC(C)OC1=CC=C(C=C1)[C@@](C)(C(=O)O)NC(=O)OC(C)(C)C

DOS

IR

Vibrations