Geometry & MOs

Info

ID:	48413
PubChem CID:	10545510
Reduced:	BrOH5C6 (2)
Stoich.:	ABC5D6 (2)
Weight, g/mol:	259.119501
ΔH_f, kcal/mol:	-18.07
Dipole, Da:	2.72
IP(EA), eV:	-8.77(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-(3-methyl-1-phenacyltetrazol-1-ium-5-yl)propan-2-one

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)OC(=C2)/C(=C/Br)/CBr

DOS

IR

Vibrations