Geometry & MOs

Info

ID:

315544

PubChem CID:

126627529

Reduced:

N4O4C37H40 (1)

Stoich.:

A4B4C37D40 (1)

Weight, g/mol:

550.258006

ΔHf, kcal/mol:

-24.05

Dipole, Da:

4.81

IP(EA), eV:

 -8.43(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[2-[3-(5-cyano-2-hydroxyphenyl)phenyl]-6-methyl-4-(4-methyl-4-prop-2-enoxypiperidin-1-yl)pyrazolo[1,5-a]pyridin-5-yl]acetate

Drug info:

PubChemData

Smile

CC1=CN2C(=CC(=N2)C3=CC=CC(=C3)C4=C(C=CC(=C4)C#N)OCCC=C)C(=C1CC(=O)OC)N5CCC(CC5)(C)OCC=C

DOS

IR

Vibrations