Geometry & MOs

Info

ID:	34541
PubChem CID:	7978643
Reduced:	ClN3O5C19H24 (1)
Stoich.:	AB3C5D19E24 (1)
Weight, g/mol:	374.114568
ΔH_f, kcal/mol:	-172.08
Dipole, Da:	5.86
IP(EA), eV:	-8.61(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-cyanoanilino)-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)OC)OC)Cl

DOS

IR

Vibrations