Geometry & MOs

Info

ID:	419312
PubChem CID:	135107966
Reduced:	O3N4C16H16 (1)
Stoich.:	A3B4C16D16 (1)
Weight, g/mol:	318.174356
ΔH_f, kcal/mol:	-34.62
Dipole, Da:	2.07
IP(EA), eV:	-9.46(-1.3)
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]-3-(4-fluorophenyl)-N-methylpropanamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=CN=CO2)C(=O)N(CCO)CC3=NC=CN3

DOS

IR

Vibrations