Geometry & MOs

Info

ID:	34589
PubChem CID:	7978701
Reduced:	ClN3O5C20H24 (1)
Stoich.:	AB3C5D20E24 (1)
Weight, g/mol:	401.070925
ΔH_f, kcal/mol:	-185.58
Dipole, Da:	8.82
IP(EA), eV:	-9.17(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-chloro-2-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=CC=C(C=C2)C(=O)OCC)Cl

DOS

IR

Vibrations