Geometry & MOs

Info

ID:	371382
PubChem CID:	127346098
Reduced:	SN3O3H19C20 (1)
Stoich.:	AB3C3D19E20 (1)
Weight, g/mol:	255.162314
ΔH_f, kcal/mol:	-15.62
Dipole, Da:	2.42
IP(EA), eV:	-9.48(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl(cyclohexyl)methanone

Drug info:

PubChemData

Smile

CN(CC(=O)N1C2CCC1C3=CC=CC=C23)S(=O)(=O)C4=CC=C(C=C4)C#N

DOS

IR

Vibrations