Geometry & MOs

Info

ID:	259358
PubChem CID:	103164550
Reduced:	OCl2N3C13H15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	230.105528
ΔH_f, kcal/mol:	0.36
Dipole, Da:	8.01
IP(EA), eV:	-9.32(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclobutylmethyl)-3H-benzimidazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CCOC1CC(C1)CC2=NC3=NC(=C(C=C3N2)Cl)Cl

DOS

IR

Vibrations