Geometry & MOs

Info

ID:	202917
PubChem CID:	79745259
Reduced:	ON2C16H24 (1)
Stoich.:	AB2C16D24 (1)
Weight, g/mol:	261.118735
ΔH_f, kcal/mol:	-30.07
Dipole, Da:	2.47
IP(EA), eV:	-8.76(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopentylsulfanyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanone

Drug info:

PubChemData

Smile

CCN(CC)C(C)(C)C(=O)C1CCC2=C1N=CC=C2

DOS

IR

Vibrations