Geometry & MOs

Info

ID:	34547
PubChem CID:	7978651
Reduced:	N2O4C23H30 (1)
Stoich.:	A2B4C23D30 (1)
Weight, g/mol:	408.075596
ΔH_f, kcal/mol:	-137.62
Dipole, Da:	2.78
IP(EA), eV:	-8.9(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C/C=C/C1=CC(=C(C=C1)OCC(=O)NNC(=O)C23CC4CC(C2)CC(C4)C3)OC

DOS

IR

Vibrations