Geometry & MOs

Info

ID:	187477
PubChem CID:	77577534
Reduced:	ClNC16H18 (1)
Stoich.:	ABC16D18 (1)
Weight, g/mol:	426.237939
ΔH_f, kcal/mol:	22.94
Dipole, Da:	0.75
IP(EA), eV:	-8.85(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[5-(4-carbamoyl-1H-benzimidazol-2-yl)-6-azabicyclo[3.2.1]octan-6-yl]ethyl]piperazine-1-carboxylic acid

Drug info:

PubChemData

Smile

CN1CC2CC2(C1)C3=CC4=CC=CC=C4C=C3.Cl

DOS

IR

Vibrations