Geometry & MOs

Info

ID:	122156
PubChem CID:	50796173
Reduced:	ON2C14H16 (2)
Stoich.:	AB2C14D16 (2)
Weight, g/mol:	392.221226
ΔH_f, kcal/mol:	-23.58
Dipole, Da:	3.33
IP(EA), eV:	-8.42(-0.4)
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-pyrrolidin-1-ylpropan-1-one

Drug info:

PubChemData

Smile

CCOC1=NC2=C(C(=C1CCC(=O)NCC3=CC=C(C=C3)C)C)C(=NN2C4=CC=C(C=C4)C)C

DOS

IR

Vibrations