Geometry & MOs

Info

ID:	68962
PubChem CID:	46513917
Reduced:	N4O4H24C25 (1)
Stoich.:	A4B4C24D25 (1)
Weight, g/mol:	410.15902
ΔH_f, kcal/mol:	-56.09
Dipole, Da:	2.99
IP(EA), eV:	-8.44(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC4=C(N=C3)N(N=C4C)C

DOS

IR

Vibrations