Geometry & MOs

Info

ID:	148366
PubChem CID:	53788028
Reduced:	N2O5C25H50 (1)
Stoich.:	A2B5C25D50 (1)
Weight, g/mol:	308.019096
ΔH_f, kcal/mol:	-160.95
Dipole, Da:	1.9
IP(EA), eV:	-10.22(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[phenyl(2H-tetrazol-5-yl)methyl] trifluoromethanesulfonate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCCCC(C)(CCCO[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations