Geometry & MOs

Info

ID:	34446
PubChem CID:	7978476
Reduced:	N3O3H17C22 (1)
Stoich.:	A3B3C17D22 (1)
Weight, g/mol:	411.111647
ΔH_f, kcal/mol:	8.5
Dipole, Da:	6.0
IP(EA), eV:	-9.6(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 1-butyl-5-chloro-3-methylpyrazole-4-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NNC(=O)COC3=CC=C(C=C3)C#N

DOS

IR

Vibrations