Geometry & MOs

Info

ID:	242494
PubChem CID:	96107463
Reduced:	ON3C15H15 (1)
Stoich.:	AB3C15D15 (1)
Weight, g/mol:	297.111341
ΔH_f, kcal/mol:	28.4
Dipole, Da:	3.02
IP(EA), eV:	-9.02(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R)-1-hydroxyethyl]-1-(pyridin-3-ylmethyl)benzimidazole-5-carboxylic acid

Drug info:

PubChemData

Smile

C[C@H](C1=NC2=CC=CC=C2N1CC3=CN=CC=C3)O

DOS

IR

Vibrations