Geometry & MOs

Info

ID:	253342
PubChem CID:	103117855
Reduced:	ON5H11C15 (1)
Stoich.:	AB5C11D15 (1)
Weight, g/mol:	296.073182
ΔH_f, kcal/mol:	101.99
Dipole, Da:	3.15
IP(EA), eV:	-9.43(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-carbamothioylphenyl)pyrazolo[1,5-a]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CN(C1=CC=CC=C1C#N)C(=O)C2=C3C=NC=CN3N=C2

DOS

IR

Vibrations