Geometry & MOs

Info

ID:	202921
PubChem CID:	79746116
Reduced:	NOSC17H19 (1)
Stoich.:	ABCD17E19 (1)
Weight, g/mol:	319.0008
ΔH_f, kcal/mol:	-5.39
Dipole, Da:	2.0
IP(EA), eV:	-8.52(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-bromo-5-fluorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone

Drug info:

PubChemData

Smile

CCC1=CN=C(C=C1)CC(=O)CSC2=CC=C(C=C2)C

DOS

IR

Vibrations