Geometry & MOs

Info

ID:	442086
PubChem CID:	135249557
Reduced:	ON5H21C23 (1)
Stoich.:	AB5C21D23 (1)
Weight, g/mol:	372.140868
ΔH_f, kcal/mol:	102.39
Dipole, Da:	5.86
IP(EA), eV:	-8.95(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,6-dihydro-2H-thiopyran-4-yl)-3-[4-(1-methylpyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyridine

Drug info:

PubChemData

Smile

CC1=NN=C(O1)C2=CC=C(C=C2)C3=C4C(=CC=CN4N=C3)C5CCC(CC5)C#N

DOS

IR

Vibrations