Geometry & MOs

Info

ID:	122154
PubChem CID:	50796171
Reduced:	FO2N4C25H25 (1)
Stoich.:	AB2C4D25E25 (1)
Weight, g/mol:	472.247441
ΔH_f, kcal/mol:	-46.97
Dipole, Da:	3.96
IP(EA), eV:	-8.63(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-ethoxy-3,4-dimethyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridin-5-yl]-N-[(4-methoxyphenyl)methyl]propanamide

Drug info:

PubChemData

Smile

CCOC1=NC2=C(C(=C1CCC(=O)NC3=CC(=CC=C3)F)C)C(=NN2C4=CC=CC=C4)C

DOS

IR

Vibrations