Geometry & MOs

Info

ID:	286206
PubChem CID:	104161216
Reduced:	Cl2N2O3C14H16 (1)
Stoich.:	A2B2C3D14E16 (1)
Weight, g/mol:	262.131742
ΔH_f, kcal/mol:	-110.26
Dipole, Da:	3.61
IP(EA), eV:	-9.27(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(3-methoxybutyl)-1H-benzimidazole-4-carboxylate

Drug info:

PubChemData

Smile

CC(CCC1=NC2=CC(=C(C=C2N1CC(=O)O)Cl)Cl)OC

DOS

IR

Vibrations