Geometry & MOs

Info

ID:	253453
PubChem CID:	103118563
Reduced:	OSN4H8C13 (1)
Stoich.:	ABC4D8E13 (1)
Weight, g/mol:	275.105862
ΔH_f, kcal/mol:	109.19
Dipole, Da:	3.58
IP(EA), eV:	-9.34(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methylphenyl)-3-oxo-3-pyrazolo[1,5-a]pyridin-3-ylpropanenitrile

Drug info:

PubChemData

Smile

C1=CSC(=C1)C(C#N)C(=O)C2=C3C=NC=CN3N=C2

DOS

IR

Vibrations