Geometry & MOs

Info

ID:	423676
PubChem CID:	135119972
Reduced:	SN2O3C17H22 (1)
Stoich.:	AB2C3D17E22 (1)
Weight, g/mol:	344.246378
ΔH_f, kcal/mol:	-90.97
Dipole, Da:	6.43
IP(EA), eV:	-9.24(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aR,6R,7aR)-6-[methyl-[[3-(3-methylbutoxy)phenyl]methyl]amino]-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-3-one

Drug info:

PubChemData

Smile

CS(=O)(=O)CCN1C[C@H]([C@H](C1)O)CC2=CC=NC3=CC=CC=C23

DOS

IR

Vibrations