Geometry & MOs

Info

ID:	34540
PubChem CID:	7978642
Reduced:	Cl2N3O3C18H21 (1)
Stoich.:	A2B3C3D18E21 (1)
Weight, g/mol:	409.140449
ΔH_f, kcal/mol:	-108.92
Dipole, Da:	5.66
IP(EA), eV:	-9.14(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,5-dimethoxyanilino)-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=CC(=C2)Cl)C)Cl

DOS

IR

Vibrations