Geometry & MOs

Info

ID:	378088
PubChem CID:	134224159
Reduced:	O2F3N3C21H28 (1)
Stoich.:	A2B3C3D21E28 (1)
Weight, g/mol:	417.143089
ΔH_f, kcal/mol:	-206.06
Dipole, Da:	6.64
IP(EA), eV:	-8.75(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-(3-hexan-2-yloxy-2-methylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCCCCCC(C)OC1=CC=CC(=C1C)NC(=O)C2=C(N(N=C2C(F)F)C)F

DOS

IR

Vibrations