Geometry & MOs

Info

ID:	24199
PubChem CID:	608414
Reduced:	N2O2F3H9C12 (1)
Stoich.:	A2B2C3D9E12 (1)
Weight, g/mol:	270.061612
ΔH_f, kcal/mol:	-166.62
Dipole, Da:	3.53
IP(EA), eV:	-9.11(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-2-phenyl-4-(2,2,2-trifluoroacetyl)-4H-pyrazol-3-one

Drug info:

PubChemData

Smile

CC1=NN(C(=O)C1C(=O)C(F)(F)F)C2=CC=CC=C2

DOS

IR

Vibrations