Geometry & MOs

Info

ID:	242348
PubChem CID:	96099880
Reduced:	F2O2N3C12H13 (1)
Stoich.:	A2B2C3D12E13 (1)
Weight, g/mol:	251.107005
ΔH_f, kcal/mol:	-126.45
Dipole, Da:	2.86
IP(EA), eV:	-9.57(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[7-fluoro-2-(methylaminomethyl)benzimidazol-1-yl]propanoic acid

Drug info:

PubChemData

Smile

C[C@H](C(=O)O)N1C(=NC2=C1C(=C(C=C2)F)F)CNC

DOS

IR

Vibrations