Geometry & MOs

Info

ID:	122147
PubChem CID:	50796068
Reduced:	N4O4C27H28 (1)
Stoich.:	A4B4C27D28 (1)
Weight, g/mol:	486.226705
ΔH_f, kcal/mol:	-84.8
Dipole, Da:	2.7
IP(EA), eV:	-8.68(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[3-(6-ethoxy-3,4-dimethyl-1-phenylpyrazolo[3,4-b]pyridin-5-yl)propanoylamino]benzoate

Drug info:

PubChemData

Smile

CCOC1=NC2=C(C(=C1CCC(=O)NC3=CC=C(C=C3)C(=O)OC)C)C(=NN2C4=CC=CC=C4)C

DOS

IR

Vibrations