Geometry & MOs

Info

ID:	132017
PubChem CID:	51291865
Reduced:	OF2N3C16H19 (1)
Stoich.:	AB2C3D16E19 (1)
Weight, g/mol:	399.172896
ΔH_f, kcal/mol:	-106.86
Dipole, Da:	1.55
IP(EA), eV:	-9.16(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(tert-butylamino)-2-oxoethyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)CC(=O)NC(C)C2=C(C=C(C=C2)F)F

DOS

IR

Vibrations