Geometry & MOs

Info

ID:	242405
PubChem CID:	96099940
Reduced:	O3N4C14H20 (1)
Stoich.:	A3B4C14D20 (1)
Weight, g/mol:	278.13789
ΔH_f, kcal/mol:	-72.85
Dipole, Da:	3.77
IP(EA), eV:	-8.35(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-3-amino-2-hydroxypropyl]-2-(methylaminomethyl)benzimidazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CNCC1=NC2=CC3=C(C=C2N1C[C@H](CN)O)OCCO3

DOS

IR

Vibrations