Geometry & MOs

Info

ID:	242345
PubChem CID:	96099877
Reduced:	ON2C6H8 (2)
Stoich.:	AB2C6D8 (2)
Weight, g/mol:	269.097583
ΔH_f, kcal/mol:	-40.93
Dipole, Da:	3.85
IP(EA), eV:	-8.48(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[6,7-difluoro-2-(methylaminomethyl)benzimidazol-1-yl]propanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations