Geometry & MOs

Info

ID:	242416
PubChem CID:	96099952
Reduced:	ON5C12H19 (1)
Stoich.:	AB5C12D19 (1)
Weight, g/mol:	249.15896
ΔH_f, kcal/mol:	-0.32
Dipole, Da:	2.18
IP(EA), eV:	-8.09(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-amino-3-[5-amino-2-(methylaminomethyl)benzimidazol-1-yl]propan-2-ol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations