Geometry & MOs

Info

ID:	325529
PubChem CID:	126683785
Reduced:	O4N5C6H9 (1)
Stoich.:	A4B5C6D9 (1)
Weight, g/mol:	518.362077
ΔH_f, kcal/mol:	-74.48
Dipole, Da:	5.15
IP(EA), eV:	-10.34(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[1-[(1S,5R)-9-[(6R)-8-bicyclo[4.3.1]decanyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzimidazol-2-yl]pyrrolidin-1-yl]propanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)C(=NNC(=O)O)CN=[N+]=[N-]

DOS

IR

Vibrations