Geometry & MOs

Info

ID:	136106
PubChem CID:	51979486
Reduced:	ClN3C14H18 (1)
Stoich.:	AB3C14D18 (1)
Weight, g/mol:	337.155218
ΔH_f, kcal/mol:	18.86
Dipole, Da:	3.66
IP(EA), eV:	-8.96(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-[(4-methylphenoxy)methyl]-1-(2-methylpropyl)benzimidazole-5-carboxylate

Drug info:

PubChemData

Smile

CCCN1C2=C(C=CC(=C2)Cl)N=C1[C@H]3CCCN3

DOS

IR

Vibrations