Geometry & MOs

Info

ID:	122052
PubChem CID:	50791189
Reduced:	ClO2N4H23C24 (1)
Stoich.:	AB2C4D23E24 (1)
Weight, g/mol:	420.17731
ΔH_f, kcal/mol:	2.58
Dipole, Da:	5.02
IP(EA), eV:	-8.76(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-diethyl-2-[3-methyl-1-(4-methylphenyl)-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-6-yl]oxyacetamide

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C1C(=NN2C3=CC=CC=C3)C)OC(C)C(=O)NCC4=CC=C(C=C4)Cl

DOS

IR

Vibrations