Geometry & MOs

Info

ID:	122056
PubChem CID:	50791346
Reduced:	O2F3N4C22H23 (1)
Stoich.:	A2B3C4D22E23 (1)
Weight, g/mol:	430.200491
ΔH_f, kcal/mol:	-167.34
Dipole, Da:	7.62
IP(EA), eV:	-8.82(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(4-ethylphenyl)-3,4-dimethylpyrazolo[3,4-b]pyridin-6-yl]oxy-N-(4-methoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C3=C(C(=N2)C)C(=CC(=N3)OCC(=O)N4CCCCC4)C(F)(F)F

DOS

IR

Vibrations