Geometry & MOs

Info

ID:	244120
PubChem CID:	99319069
Reduced:	F2N3O5H15C17 (1)
Stoich.:	A2B3C5D15E17 (1)
Weight, g/mol:	431.176896
ΔH_f, kcal/mol:	-171.91
Dipole, Da:	4.71
IP(EA), eV:	-9.99(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-difluoro-N-[2-[3-(1,3,4-trimethyl-6-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)propanoylamino]ethyl]benzamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)OCC(=O)NCCNC(=O)C2=C(C=C(C=C2)F)F)[N+](=O)[O-]

DOS

IR

Vibrations