Geometry & MOs

Info

ID:	418711
PubChem CID:	135106632
Reduced:	ON4C17H28 (1)
Stoich.:	AB4C17D28 (1)
Weight, g/mol:	365.150619
ΔH_f, kcal/mol:	-28.29
Dipole, Da:	2.75
IP(EA), eV:	-8.94(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[[[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-methylamino]methyl]-2-chlorophenoxy]acetamide

Drug info:

PubChemData

Smile

CCC1=NC=CC(=N1)CN2CC[C@]3(CCCN([C@@H]3C2)C)CO

DOS

IR

Vibrations