Geometry & MOs

Info

ID:	406858
PubChem CID:	135078802
Reduced:	BrN2O3C19H25 (1)
Stoich.:	AB2C3D19E25 (1)
Weight, g/mol:	409.11268
ΔH_f, kcal/mol:	-82.26
Dipole, Da:	3.67
IP(EA), eV:	-9.42(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(E)-6-(4-bromophenyl)-1-(2,4-dimethylpentan-3-yloxy)-3-hydroxy-1-oxohex-2-ene-2-diazonium

Drug info:

PubChemData

Smile

CC(C)C(C(C)C)OC(=O)/C(=C(/CCCC1=CC=C(C=C1)Br)\[O-])/[N+]#N

DOS

IR

Vibrations