Geometry & MOs

Info

ID:	287587
PubChem CID:	104247826
Reduced:	NSO2C16H17 (1)
Stoich.:	ABC2D16E17 (1)
Weight, g/mol:	285.116507
ΔH_f, kcal/mol:	-44.41
Dipole, Da:	5.75
IP(EA), eV:	-8.53(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4-fluorophenyl)-3-oxopropyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one

Drug info:

PubChemData

Smile

C1CC2=C(C1)N(C(=O)C=C2)CCCC(=O)C3=CC=CS3

DOS

IR

Vibrations