Geometry & MOs

Info

ID:	242321
PubChem CID:	96099853
Reduced:	N3O3C13H17 (1)
Stoich.:	A3B3C13D17 (1)
Weight, g/mol:	249.111341
ΔH_f, kcal/mol:	-78.36
Dipole, Da:	2.68
IP(EA), eV:	-8.65(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[5-hydroxy-2-(methylaminomethyl)benzimidazol-1-yl]propanoic acid

Drug info:

PubChemData

Smile

C[C@H](C(=O)O)N1C2=C(C=C(C=C2)OC)N=C1CNC

DOS

IR

Vibrations