Geometry & MOs

Info

ID:	34552
PubChem CID:	7978657
Reduced:	ClF2N3O3C17H18 (1)
Stoich.:	AB2C3D3E17F18 (1)
Weight, g/mol:	401.070925
ΔH_f, kcal/mol:	-184.05
Dipole, Da:	6.16
IP(EA), eV:	-9.04(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-chloro-4-fluoroanilino)-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)Cl

DOS

IR

Vibrations