Geometry & MOs

Info

ID:	34586
PubChem CID:	7978698
Reduced:	ClN3O5C20H24 (1)
Stoich.:	AB3C5D20E24 (1)
Weight, g/mol:	407.124798
ΔH_f, kcal/mol:	-179.63
Dipole, Da:	6.97
IP(EA), eV:	-9.85(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCN1C(=C(C(=N1)C)C(=O)OCC(=O)NCC2=CC=C(C=C2)C(=O)OC)Cl

DOS

IR

Vibrations