Geometry & MOs

Info

ID:	319817
PubChem CID:	126657349
Reduced:	SO3C15H30 (1)
Stoich.:	AB3C15D30 (1)
Weight, g/mol:	266.247047
ΔH_f, kcal/mol:	-191.35
Dipole, Da:	5.35
IP(EA), eV:	-10.78(0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-hexyloctyl)-2H-tetrazole

Drug info:

PubChemData

Smile

CCCCCC(CCCCC)C1CS(=O)(=O)C[C@@H]1O

DOS

IR

Vibrations