Geometry & MOs

Info

ID:	55352
PubChem CID:	17395275
Reduced:	FSN3H10C13 (1)
Stoich.:	ABC3D10E13 (1)
Weight, g/mol:	374.00145
ΔH_f, kcal/mol:	53.37
Dipole, Da:	4.67
IP(EA), eV:	-8.7(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(6-bromo-1,3-benzodioxol-5-yl)methoxy]phenyl]tetrazole

Drug info:

PubChemData

Smile

C1=CC2=NN=C(N2C=C1)SCC3=CC(=CC=C3)F

DOS

IR

Vibrations