Geometry & MOs

Info

ID:	21124
PubChem CID:	587294
Reduced:	ClN2O2F3C17H18 (1)
Stoich.:	AB2C2D3E17F18 (1)
Weight, g/mol:	374.10089
ΔH_f, kcal/mol:	-218.87
Dipole, Da:	5.75
IP(EA), eV:	-9.81(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chlorophenyl)-[3-cyclohexyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone

Drug info:

PubChemData

Smile

C1CCC(CC1)C2=NN(C(C2)(C(F)(F)F)O)C(=O)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations