Geometry & MOs

Info

ID:	415412
PubChem CID:	135088406
Reduced:	SN2O5C17H24 (1)
Stoich.:	AB2C5D17E24 (1)
Weight, g/mol:	350.176106
ΔH_f, kcal/mol:	-190.86
Dipole, Da:	6.37
IP(EA), eV:	-9.43(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aR,6R,7aR)-6-[(3-chloro-4-propoxyphenyl)methyl-methylamino]-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-3-one

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)S(=O)(=O)C3=CC=CC(=C3)OC)C(=O)O

DOS

IR

Vibrations