Geometry & MOs

Info

ID:	8959
PubChem CID:	84026
Reduced:	NO4C13H19 (1)
Stoich.:	AB4C13D19 (1)
Weight, g/mol:	253.131408
ΔH_f, kcal/mol:	-168.62
Dipole, Da:	6.35
IP(EA), eV:	-8.82(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-3-(3-butoxy-4-hydroxyphenyl)propanoic acid

Drug info:

PubChemData

Smile

CCCCOC1=C(C=CC(=C1)C[C@@H](C(=O)O)N)O

DOS

IR

Vibrations