Geometry & MOs

Info

ID:	3191
PubChem CID:	9307
Reduced:	NO4C10H13 (1)
Stoich.:	AB4C10D13 (1)
Weight, g/mol:	211.084458
ΔH_f, kcal/mol:	-151.9
Dipole, Da:	3.82
IP(EA), eV:	-8.9(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-3-(4-hydroxy-3-methoxyphenyl)propanoic acid

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C[C@@H](C(=O)O)N)O

DOS

IR

Vibrations