Geometry & MOs

Info

ID:	403993
PubChem CID:	135064098
Reduced:	N2O2F3H11C12 (1)
Stoich.:	A2B2C3D11E12 (1)
Weight, g/mol:	404.077103
ΔH_f, kcal/mol:	-192.73
Dipole, Da:	8.64
IP(EA), eV:	-9.47(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-(2,2,3,3,4,4,5,5-octafluoro-1-hydroxypentyl)-2-phenyl-1H-pyrazol-5-one

Drug info:

PubChemData

Smile

CC1=C(C(=O)NN1C2=CC=CC=C2)C(C(F)(F)F)O

DOS

IR

Vibrations