Geometry & MOs

Info

ID:	6570
PubChem CID:	68908
Reduced:	NO4C9H11 (1)
Stoich.:	AB4C9D11 (1)
Weight, g/mol:	197.068808
ΔH_f, kcal/mol:	-157.71
Dipole, Da:	4.0
IP(EA), eV:	-9.35(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-2-[3-hydroxy-4-(hydroxymethyl)phenyl]acetic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations