Geometry & MOs

Info

ID:	287581
PubChem CID:	104247692
Reduced:	ON2C17H20 (1)
Stoich.:	AB2C17D20 (1)
Weight, g/mol:	288.09102
ΔH_f, kcal/mol:	-16.09
Dipole, Da:	5.98
IP(EA), eV:	-8.54(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-fluoro-4-nitrophenyl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(CN2C3=C(CCC3)C=CC2=O)N

DOS

IR

Vibrations