Geometry & MOs

Info

ID:	80028
PubChem CID:	49832294
Reduced:	OF2N2H5C7 (2)
Stoich.:	AB2C2D5E7 (2)
Weight, g/mol:	336.102254
ΔH_f, kcal/mol:	-200.36
Dipole, Da:	3.74
IP(EA), eV:	-8.76(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(NC2=C(C(=O)NN2C1=O)NC3=CC=C(C=C3)F)C(F)(F)F

DOS

IR

Vibrations