Geometry & MOs

Info

ID:	427193
PubChem CID:	135156006
Reduced:	ClN5O5C42H42 (1)
Stoich.:	AB5C5D42E42 (1)
Weight, g/mol:	296.05211
ΔH_f, kcal/mol:	-70.11
Dipole, Da:	8.09
IP(EA), eV:	-8.96(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-pyrazolo[1,5-a]pyridin-4-yl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1C2=CC3=C(C=C2)OC(=N3)C4CC5CCC(C4)N5)COC6=C(C=C(C(=C6)OCC7=CC(=CN=C7)C#N)CN8CCCC[C@H]8C(=O)O)Cl

DOS

IR

Vibrations