Geometry & MOs

Info

ID:	251889
PubChem CID:	103107591
Reduced:	SO3N5C10H11 (1)
Stoich.:	AB3C5D10E11 (1)
Weight, g/mol:	307.038017
ΔH_f, kcal/mol:	-27.66
Dipole, Da:	7.7
IP(EA), eV:	-9.6(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[(2,3,4,5,6-pentafluorophenyl)methyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CC(=O)NC1=NC(=CS1)CN2C=C(N=N2)C(=O)OC

DOS

IR

Vibrations