Geometry & MOs

Info

ID:	34605
PubChem CID:	7978720
Reduced:	N2O5C21H28 (1)
Stoich.:	A2B5C21D28 (1)
Weight, g/mol:	417.106704
ΔH_f, kcal/mol:	-181.03
Dipole, Da:	2.88
IP(EA), eV:	-8.88(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 1-butyl-5-chloro-3-methylpyrazole-4-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations