Geometry & MOs

Info

ID:	30037
PubChem CID:	839068
Reduced:	FN2O3C16H19 (1)
Stoich.:	AB2C3D16E19 (1)
Weight, g/mol:	335.072848
ΔH_f, kcal/mol:	-129.95
Dipole, Da:	5.43
IP(EA), eV:	-8.93(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC(=O)C1=C(C(=O)N([C@H]1C2=CC=CC=C2F)CCN(C)C)O

DOS

IR

Vibrations