Geometry & MOs

Info

ID:	387568
PubChem CID:	134985892
Reduced:	NO3C14H21 (1)
Stoich.:	AB3C14D21 (1)
Weight, g/mol:	223.120843
ΔH_f, kcal/mol:	-147.11
Dipole, Da:	3.27
IP(EA), eV:	-8.85(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-3-(3-ethyl-4-hydroxy-2-methylphenyl)propanoic acid

Drug info:

PubChemData

Smile

CCC1=C(C=C(C(=C1CC)C[C@@H](C(=O)O)N)C)O

DOS

IR

Vibrations