Geometry & MOs

Info

ID:	34538
PubChem CID:	7978639
Reduced:	ClN3O4C19H24 (1)
Stoich.:	AB3C4D19E24 (1)
Weight, g/mol:	377.150619
ΔH_f, kcal/mol:	-139.42
Dipole, Da:	3.99
IP(EA), eV:	-8.25(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,6-dimethylanilino)-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)C)OC)Cl

DOS

IR

Vibrations