Geometry & MOs

Info

ID:	68845
PubChem CID:	46509349
Reduced:	SO3N4H20C23 (1)
Stoich.:	AB3C4D20E23 (1)
Weight, g/mol:	380.184841
ΔH_f, kcal/mol:	25.23
Dipole, Da:	3.57
IP(EA), eV:	-9.34(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(diethylamino)-2-oxoethyl] 1,3-dimethyl-6-phenylpyrazolo[3,4-b]pyridine-4-carboxylate

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=C1)C(=O)COC(=O)C2=NN(C(=N2)C3=CC=CS3)C4=CC=CC=C4

DOS

IR

Vibrations