Geometry & MOs

Info

ID:	193464
PubChem CID:	78397917
Reduced:	ON5H19C24 (1)
Stoich.:	AB5C19D24 (1)
Weight, g/mol:	351.10933
ΔH_f, kcal/mol:	156.87
Dipole, Da:	5.68
IP(EA), eV:	-8.49(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

4-[5-(2-methoxy-4-prop-1-enylphenoxy)tetrazol-1-yl]benzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2C(NNC2=C3N=C4C=CC=CC4=N3)COC5=CC=CC=C5C#N

DOS

IR

Vibrations