Geometry & MOs

Info

ID:	34579
PubChem CID:	7978689
Reduced:	ClF3N3O3C17H17 (1)
Stoich.:	AB3C3D3E17F17 (1)
Weight, g/mol:	377.150619
ΔH_f, kcal/mol:	-223.78
Dipole, Da:	5.24
IP(EA), eV:	-9.27(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,4-dimethylanilino)-2-oxoethyl] 1-butyl-5-chloro-3-methylpyrazole-4-carboxylate

Drug info:

PubChemData

Smile

CCCCN1C(=C(C(=N1)C)C(=O)OCC(=O)NC2=C(C(=C(C=C2)F)F)F)Cl

DOS

IR

Vibrations