Geometry & MOs

Info

ID:	209743
PubChem CID:	80711806
Reduced:	ClOSN3C11H12 (1)
Stoich.:	ABCD3E11F12 (1)
Weight, g/mol:	217.085127
ΔH_f, kcal/mol:	14.59
Dipole, Da:	0.45
IP(EA), eV:	-9.11(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-cyano-N-(oxolan-3-yl)pyridine-2-carboxamide

Drug info:

PubChemData

Smile

COC1=NC=C(C(=N1)NCCC2=CC=CS2)Cl

DOS

IR

Vibrations