Geometry & MOs

Info

ID:	34558
PubChem CID:	7978663
Reduced:	ClN3O4C19H24 (1)
Stoich.:	AB3C4D19E24 (1)
Weight, g/mol:	413.090912
ΔH_f, kcal/mol:	-137.97
Dipole, Da:	4.02
IP(EA), eV:	-8.58(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-chloro-4-methoxyanilino)-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=CC=C2OCC)Cl

DOS

IR

Vibrations