Geometry & MOs

Info

ID:	48213
PubChem CID:	10538006
Reduced:	O2F3C11H19 (1)
Stoich.:	A2B3C11D19 (1)
Weight, g/mol:	241.108936
ΔH_f, kcal/mol:	-294.34
Dipole, Da:	3.29
IP(EA), eV:	-11.23(0.31)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-(6-methyl-2-phenyl-3H-pyrrolo[2,1-e]tetrazol-2-ium-5-yl)ethanone

Drug info:

PubChemData

Smile

CCCCCCC[C@H](C(F)(F)F)OC(=O)C

DOS

IR

Vibrations