Geometry & MOs

Info

ID:

315535

PubChem CID:

126627504

Reduced:

O3N4H24C32 (1)

Stoich.:

A3B4C24D32 (1)

Weight, g/mol:

539.278407

ΔHf, kcal/mol:

28.98

Dipole, Da:

9.58

IP(EA), eV:

 -8.67(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[2-[3-(2-hydroxy-5-methylphenyl)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=CN=CC=C4)C(=C1CC(=O)O)C5=C6C7=C(C=C5)OCCC7=CC=N6

DOS

IR

Vibrations