Geometry & MOs

Info

ID:	378989
PubChem CID:	134228772
Reduced:	O3N4C13H18 (1)
Stoich.:	A3B4C13D18 (1)
Weight, g/mol:	292.153541
ΔH_f, kcal/mol:	-40.92
Dipole, Da:	9.79
IP(EA), eV:	-9.41(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(1-hydroxypropan-2-yloxy)-5-propan-2-ylphenyl]-4-methyltetrazol-5-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations