Geometry & MOs

Info

ID:	21130
PubChem CID:	587307
Reduced:	ClO2F3N3H11C16 (1)
Stoich.:	AB2C3D3E11F16 (1)
Weight, g/mol:	369.049189
ΔH_f, kcal/mol:	-158.41
Dipole, Da:	0.44
IP(EA), eV:	-10.12(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C(=NN(C1(C2=CC=NC=C2)O)C(=O)C3=CC=C(C=C3)Cl)C(F)(F)F

DOS

IR

Vibrations