Geometry & MOs

Info

ID:	378089
PubChem CID:	134224160
Reduced:	ClO2F3N3C19H23 (1)
Stoich.:	AB2C3D3E19F23 (1)
Weight, g/mol:	383.182062
ΔH_f, kcal/mol:	-213.97
Dipole, Da:	8.33
IP(EA), eV:	-8.7(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations