Geometry & MOs

Info

ID:	69233
PubChem CID:	46530491
Reduced:	FO2N5C20H20 (1)
Stoich.:	AB2C5D20E20 (1)
Weight, g/mol:	442.211724
ΔH_f, kcal/mol:	-54.73
Dipole, Da:	7.06
IP(EA), eV:	-8.27(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(methylcarbamoylamino)phenyl]-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC=C(C=C2)F)C)C(=O)NC3=CC=C(C=C3)NC(=O)NC

DOS

IR

Vibrations