Geometry & MOs

Info

ID:	157068
PubChem CID:	56413298
Reduced:	OF3N3C20H24 (1)
Stoich.:	AB3C3D20E24 (1)
Weight, g/mol:	422.231791
ΔH_f, kcal/mol:	-176.16
Dipole, Da:	2.31
IP(EA), eV:	-9.52(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-3-methyl-6-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C(C1)C2=CC=C(C=C2)C(F)(F)F)CC(=O)NC3(CCCC3)C#N

DOS

IR

Vibrations