Geometry & MOs

Info

ID:	72003
PubChem CID:	48415706
Reduced:	ClO2N3C19H20 (1)
Stoich.:	AB2C3D19E20 (1)
Weight, g/mol:	313.215413
ΔH_f, kcal/mol:	-21.14
Dipole, Da:	5.94
IP(EA), eV:	-8.86(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-3-cyclopentyl-N-methylpropanamide

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)COC3=CC=C(C=C3)Cl

DOS

IR

Vibrations