Geometry & MOs

Info

ID:	122138
PubChem CID:	50796059
Reduced:	F2O2N4H24C25 (1)
Stoich.:	A2B2C4D24E25 (1)
Weight, g/mol:	408.216141
ΔH_f, kcal/mol:	-96.27
Dipole, Da:	3.23
IP(EA), eV:	-8.89(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-ethoxy-3,4-dimethyl-1-phenylpyrazolo[3,4-b]pyridin-5-yl)-1-morpholin-4-ylpropan-1-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations