Geometry & MOs

Info

ID:	205087
PubChem CID:	80054129
Reduced:	SN2C13H14 (1)
Stoich.:	AB2C13D14 (1)
Weight, g/mol:	272.061949
ΔH_f, kcal/mol:	47.45
Dipole, Da:	4.75
IP(EA), eV:	-8.52(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-pyridin-4-ylsulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)N)SC2=CC=NC=C2

DOS

IR

Vibrations