Geometry & MOs

Info

ID:	120787
PubChem CID:	50744269
Reduced:	ClN3O4H16C21 (1)
Stoich.:	AB3C4D16E21 (1)
Weight, g/mol:	365.173942
ΔH_f, kcal/mol:	-37.89
Dipole, Da:	8.4
IP(EA), eV:	-8.82(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-ethoxyphenyl) 1-(1H-benzimidazol-2-yl)piperidine-4-carboxylate

Drug info:

PubChemData

Smile

CC1=CC2=NC(=CC(=O)N2O1)COC3=CC=CC=C3NC(=O)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations