Geometry & MOs

Info

ID:	20063
PubChem CID:	578019
Reduced:	N2O3H11F13C17 (1)
Stoich.:	A2B3C11D13E17 (1)
Weight, g/mol:	538.056208
ΔH_f, kcal/mol:	-729.19
Dipole, Da:	5.66
IP(EA), eV:	-9.42(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-hydroxy-3-methyl-5-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-4H-pyrazol-1-yl]-(2-hydroxyphenyl)methanone

Drug info:

PubChemData

Smile

CC1=NN(C(C1)(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O)C(=O)C2=CC=CC=C2O

DOS

IR

Vibrations