Geometry & MOs

Info

ID:	34464
PubChem CID:	7978495
Reduced:	ClN3O3C14H22 (1)
Stoich.:	AB3C3D14E22 (1)
Weight, g/mol:	331.129884
ΔH_f, kcal/mol:	-135.81
Dipole, Da:	4.49
IP(EA), eV:	-9.75(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-methoxyethylamino)-2-oxoethyl] 1-butyl-5-chloro-3-methylpyrazole-4-carboxylate

Drug info:

PubChemData

Smile

CCCCN1C(=C(C(=N1)C)C(=O)OCC(=O)NC(C)C)Cl

DOS

IR

Vibrations