Geometry & MOs

Info

ID:	299588
PubChem CID:	117688060
Reduced:	F3N5O8C31H32 (1)
Stoich.:	A3B5C8D31E32 (1)
Weight, g/mol:	297.072511
ΔH_f, kcal/mol:	-385.4
Dipole, Da:	4.99
IP(EA), eV:	-8.8(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-4-hydroxy-3-phenyl-4-(trifluoromethyl)-2,5-dihydro-1H-pyrazolo[3,4-b]pyridin-6-one

Drug info:

PubChemData

Smile

C1C(CN(C1CNC2=CC=CC=N2)OC(=O)OCC3=CC=CC=C3)OCC(=O)NCC(C(=O)O)NC(=O)C4=CC(=CC=C4)C(F)(F)F

DOS

IR

Vibrations