Geometry & MOs

Info

ID:	227098
PubChem CID:	87560179
Reduced:	NO2C20H39 (1)
Stoich.:	AB2C20D39 (1)
Weight, g/mol:	396.040305
ΔH_f, kcal/mol:	-146.6
Dipole, Da:	2.97
IP(EA), eV:	-8.79(0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(3-fluoro-2-methylphenyl)-5-(trifluoromethylsulfonyloxy)pyrazole-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)NCCCC/C=C\CCCCCCCCCC(=O)OC

DOS

IR

Vibrations