Geometry & MOs

Info

ID:	242353
PubChem CID:	96099885
Reduced:	FO2N3C12H14 (1)
Stoich.:	AB2C3D12E14 (1)
Weight, g/mol:	251.107005
ΔH_f, kcal/mol:	-87.41
Dipole, Da:	3.25
IP(EA), eV:	-9.6(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[6-fluoro-2-(methylaminomethyl)benzimidazol-1-yl]propanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations