Geometry & MOs

Info

ID:

296965

PubChem CID:

117603185

Reduced:

ClO3N4C27H27 (1)

Stoich.:

AB3C4D27E27 (1)

Weight, g/mol:

473.252586

ΔHf, kcal/mol:

-69.81

Dipole, Da:

6.5

IP(EA), eV:

 -8.66(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[2-methoxy-1-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-6-methyl-4-(4-methyl-4-prop-2-enoxypiperidin-1-yl)pyrazolo[1,5-a]pyridine-2-carboxylic acid

Drug info:

PubChemData

Smile

C1CC(CNC1)C(=O)NC2=NC=C(C(=C2)C3=CC4=C(C=C3)C(CN4)CC5=CC=C(C=C5)C(=O)O)Cl

DOS

IR

Vibrations