Geometry & MOs

Info

ID:	245496
PubChem CID:	99445269
Reduced:	N2O2C12H15 (2)
Stoich.:	A2B2C12D15 (2)
Weight, g/mol:	438.226705
ΔH_f, kcal/mol:	-89.45
Dipole, Da:	6.56
IP(EA), eV:	-8.79(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-N-[(2R)-1-methoxypropan-2-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CCN([C@@H](C)COC)C(=O)C1=CC(=NC2=C1C=NN2C(C)C)C3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations