Geometry & MOs

Info

ID:	242423
PubChem CID:	96099959
Reduced:	FON4C12H17 (1)
Stoich.:	ABC4D12E17 (1)
Weight, g/mol:	252.138639
ΔH_f, kcal/mol:	-44.84
Dipole, Da:	2.86
IP(EA), eV:	-9.01(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-amino-3-[7-fluoro-2-(methylaminomethyl)benzimidazol-1-yl]propan-2-ol

Drug info:

PubChemData

Smile

CNCC1=NC2=C(N1C[C@@H](CN)O)C(=CC=C2)F

DOS

IR

Vibrations