Geometry & MOs

Info

ID:	254495
PubChem CID:	103125686
Reduced:	ClOSN4H5C9 (1)
Stoich.:	ABCD4E5F9 (1)
Weight, g/mol:	221.152812
ΔH_f, kcal/mol:	58.07
Dipole, Da:	3.24
IP(EA), eV:	-8.76(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1H-imidazol-2-one

Drug info:

PubChemData

Smile

C1=CC2=NSN=C2C(=C1Cl)N3C=CNC3=O

DOS

IR

Vibrations