Geometry & MOs

Info

ID:	378988
PubChem CID:	134228771
Reduced:	O3N4C14H20 (1)
Stoich.:	A3B4C14D20 (1)
Weight, g/mol:	278.13789
ΔH_f, kcal/mol:	-45.42
Dipole, Da:	10.08
IP(EA), eV:	-9.4(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-propan-2-yl-2-(tetrazol-1-yl)phenoxy]propane-1,2-diol

Drug info:

PubChemData

Smile

CCCCC1=CC(=C(C=C1)OCC(CO)O)N2C=NN=N2

DOS

IR

Vibrations