Geometry & MOs

Info

ID:	288684
PubChem CID:	104323500
Reduced:	SN3O3C12H17 (1)
Stoich.:	AB3C3D12E17 (1)
Weight, g/mol:	274.168128
ΔH_f, kcal/mol:	-100.7
Dipole, Da:	3.05
IP(EA), eV:	-9.22(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-[3-methyl-4-(methylamino)phenyl]methanone

Drug info:

PubChemData

Smile

C1CC(C2C1CN(C2)S(=O)(=O)C3=CC(=NC=C3)N)O

DOS

IR

Vibrations