Geometry & MOs

Info

ID:	421200
PubChem CID:	135115547
Reduced:	Cl2N2O3C23H26 (1)
Stoich.:	A2B2C3D23E26 (1)
Weight, g/mol:	387.252192
ΔH_f, kcal/mol:	-119.62
Dipole, Da:	6.33
IP(EA), eV:	-8.96(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CO[C@@H]1CCC[C@@]12CCCN(C2)C(=O)C3=CC=CN(C3=O)CC4=C(C=CC=C4Cl)Cl

DOS

IR

Vibrations