Geometry & MOs

Info

ID:	25407
PubChem CID:	624406
Reduced:	ON3F6H9C14 (1)
Stoich.:	AB3C6D9E14 (1)
Weight, g/mol:	322.10659
ΔH_f, kcal/mol:	-257.3
Dipole, Da:	9.55
IP(EA), eV:	-9.4(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-oxo-2-phenyl-4-phenyldiazenyl-1H-pyrazol-5-yl) acetate

Drug info:

PubChemData

Smile

CC1=CC2=NC(N=C(N2C=C1)C3=CC=CO3)(C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations