Geometry & MOs

Info

ID:	80027
PubChem CID:	49832292
Reduced:	F3N4O4H13C16 (1)
Stoich.:	A3B4C4D13E16 (1)
Weight, g/mol:	342.073988
ΔH_f, kcal/mol:	-239.89
Dipole, Da:	4.97
IP(EA), eV:	-8.63(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-fluoroanilino)-6-methyl-5-(trifluoromethyl)-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione

Drug info:

PubChemData

Smile

CC1=C(NC2=C(C(=O)NN2C1=O)NC(=O)C3=CC=CC=C3OC)C(F)(F)F

DOS

IR

Vibrations