Geometry & MOs

Info

ID:	287533
PubChem CID:	104246258
Reduced:	N3C13H17 (1)
Stoich.:	A3B13C17 (1)
Weight, g/mol:	305.027728
ΔH_f, kcal/mol:	39.15
Dipole, Da:	3.25
IP(EA), eV:	-8.39(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-5-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylsulfanyl)benzoic acid

Drug info:

PubChemData

Smile

CC(CC#N)N(C)C1=NC2=C(CCC2)C=C1

DOS

IR

Vibrations