Geometry & MOs

Info

ID:	145145
PubChem CID:	53469687
Reduced:	ON3H15C21 (1)
Stoich.:	AB3C15D21 (1)
Weight, g/mol:	487.141809
ΔH_f, kcal/mol:	127.87
Dipole, Da:	1.11
IP(EA), eV:	-7.99(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

3-[1-[(1-aminocyclopentyl)methyl]piperidin-4-yl]-6-chloro-1H-benzimidazol-2-one;2-hydroxy-2-oxoethanesulfonate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C#CC2=C3C=CC=CN3C(=N2)C4=CC=CC=N4

DOS

IR

Vibrations