Geometry & MOs

Info

ID:	419947
PubChem CID:	135110077
Reduced:	ON3C14H21 (1)
Stoich.:	AB3C14D21 (1)
Weight, g/mol:	330.194343
ΔH_f, kcal/mol:	-35.6
Dipole, Da:	2.79
IP(EA), eV:	-8.81(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methyl-3-propan-2-yloxybenzamide

Drug info:

PubChemData

Smile

CC1=NC=CC(=N1)N2CCC[C@@]3(C2)CCC[C@H]3O

DOS

IR

Vibrations