Geometry & MOs

Info

ID:	227255
PubChem CID:	87560892
Reduced:	N2O4C27H56 (1)
Stoich.:	A2B4C27D56 (1)
Weight, g/mol:	400.015233
ΔH_f, kcal/mol:	-283.63
Dipole, Da:	5.66
IP(EA), eV:	-8.24(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(2,4-difluorophenyl)-5-(trifluoromethylsulfonyloxy)pyrazole-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)C[N+](CC(C)C)(CC(C)C)C(C(=O)O)(C(=O)O)[N+](CC(C)C)(CC(C)C)CC(C)C

DOS

IR

Vibrations