Geometry & MOs

Info

ID:	66178
PubChem CID:	46500384
Reduced:	F3O3H21C23 (1)
Stoich.:	A3B3C21D23 (1)
Weight, g/mol:	372.166077
ΔH_f, kcal/mol:	-225.36
Dipole, Da:	7.57
IP(EA), eV:	-9.05(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-tert-butylphenoxy)-1-[3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)COC2=CC=C(C=C2)/C=C/3\CCCC(=C3O)C(=O)C(F)(F)F

DOS

IR

Vibrations