Geometry & MOs

Info

ID:	217062
PubChem CID:	85087185
Reduced:	ON2C9H12 (2)
Stoich.:	AB2C9D12 (2)
Weight, g/mol:	328.091535
ΔH_f, kcal/mol:	-48.8
Dipole, Da:	4.38
IP(EA), eV:	-8.99(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(dithiolan-3-yl)pentanoic acid;pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CN1C2CCC1CC(C2)NC(=O)C3=CN(C4=C3C=CC=N4)CCO

DOS

IR

Vibrations