Geometry & MOs

Info

ID:	423560
PubChem CID:	135119742
Reduced:	ON4C16H22 (1)
Stoich.:	AB4C16D22 (1)
Weight, g/mol:	378.194343
ΔH_f, kcal/mol:	24.96
Dipole, Da:	3.58
IP(EA), eV:	-8.69(-0.09)
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-4-(phenoxymethyl)benzamide

Drug info:

PubChemData

Smile

C1CN(CCC1OCC2=CC=CC=N2)CCC3=CNN=C3

DOS

IR

Vibrations