Geometry & MOs

Info

ID:	34539
PubChem CID:	7978641
Reduced:	ClN3O3C19H24 (1)
Stoich.:	AB3C3D19E24 (1)
Weight, g/mol:	397.095997
ΔH_f, kcal/mol:	-107.57
Dipole, Da:	5.18
IP(EA), eV:	-8.83(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(5-chloro-2-methylanilino)-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=C2C)C)Cl

DOS

IR

Vibrations