Geometry & MOs

Info

ID:	34593
PubChem CID:	7978705
Reduced:	NO2C11H15 (2)
Stoich.:	AB2C11D15 (2)
Weight, g/mol:	383.080347
ΔH_f, kcal/mol:	-155.39
Dipole, Da:	1.08
IP(EA), eV:	-8.29(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)OCCCC(=O)NNC(=O)C23CC4CC(C2)CC(C4)C3

DOS

IR

Vibrations