Geometry & MOs

Info

ID:	242312
PubChem CID:	96099844
Reduced:	O2N3C12H15 (1)
Stoich.:	A2B3C12D15 (1)
Weight, g/mol:	233.116427
ΔH_f, kcal/mol:	-39.7
Dipole, Da:	2.62
IP(EA), eV:	-9.49(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[2-(methylaminomethyl)benzimidazol-1-yl]propanoic acid

Drug info:

PubChemData

Smile

C[C@@H](C(=O)O)N1C2=CC=CC=C2N=C1CNC

DOS

IR

Vibrations