Geometry & MOs

Info

ID:	68846
PubChem CID:	46509351
Reduced:	O3N4C21H24 (1)
Stoich.:	A3B4C21D24 (1)
Weight, g/mol:	456.216141
ΔH_f, kcal/mol:	-48.43
Dipole, Da:	2.73
IP(EA), eV:	-8.99(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 1,3-dimethyl-6-phenylpyrazolo[3,4-b]pyridine-4-carboxylate

Drug info:

PubChemData

Smile

CCN(CC)C(=O)COC(=O)C1=CC(=NC2=C1C(=NN2C)C)C3=CC=CC=C3

DOS

IR

Vibrations