Geometry & MOs

Info

ID:	287584
PubChem CID:	104247727
Reduced:	N2O2H16C17 (1)
Stoich.:	A2B2C16D17 (1)
Weight, g/mol:	222.082684
ΔH_f, kcal/mol:	-16.16
Dipole, Da:	8.3
IP(EA), eV:	-8.96(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl)propanethioamide

Drug info:

PubChemData

Smile

C1CC2=C(C1)N(C(=O)C=C2)CCOC3=CC=CC(=C3)C#N

DOS

IR

Vibrations