Geometry & MOs

Info

ID:	242437
PubChem CID:	96100029
Reduced:	F2O2N3C13H15 (1)
Stoich.:	A2B2C3D13E15 (1)
Weight, g/mol:	265.122655
ΔH_f, kcal/mol:	-129.58
Dipole, Da:	1.65
IP(EA), eV:	-9.34(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-[5-fluoro-2-(methylaminomethyl)benzimidazol-1-yl]propanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations