Geometry & MOs

Info

ID:	154134
PubChem CID:	56313529
Reduced:	FOCl2N2C16H17 (1)
Stoich.:	ABC2D2E16F17 (1)
Weight, g/mol:	406.180504
ΔH_f, kcal/mol:	-69.75
Dipole, Da:	1.53
IP(EA), eV:	-9.08(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-fluorophenyl)-2-methylpropyl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)C1=CC(=C(N1C)Cl)Cl)C2=CC=CC=C2F

DOS

IR

Vibrations