Geometry & MOs

Info

ID:	122149
PubChem CID:	50796154
Reduced:	ClO3N4C26H27 (1)
Stoich.:	AB3C4D26E27 (1)
Weight, g/mol:	472.247441
ΔH_f, kcal/mol:	-45.28
Dipole, Da:	3.25
IP(EA), eV:	-8.52(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-ethoxy-3,4-dimethyl-1-(2-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(=C(C=C3)OC)Cl)C)C(=NN2C4=CC=CC=C4)C

DOS

IR

Vibrations