Geometry & MOs

Info

ID:	232558
PubChem CID:	87576419
Reduced:	PSC4H11 (1)
Stoich.:	ABC4D11 (1)
Weight, g/mol:	1008.526182
ΔH_f, kcal/mol:	-42.5
Dipole, Da:	1.38
IP(EA), eV:	-9.15(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(dibenzylamino)propyl]-3-(2-oxo-3H-benzimidazol-1-yl)-8-azabicyclo[3.2.1]octane-8-carboxylic acid;(2S,3S)-2-[3-(dibenzylamino)propyl]-3-(2-oxo-3H-benzimidazol-1-yl)pyrrolidine-1-carboxylic acid

Drug info:

PubChemData

Smile

CCCCPS

DOS

IR

Vibrations