Geometry & MOs

Info

ID:	51180
PubChem CID:	12013814
Reduced:	ClN2O2H10C11 (1)
Stoich.:	AB2C2D10E11 (1)
Weight, g/mol:	280.99257
ΔH_f, kcal/mol:	15.04
Dipole, Da:	2.35
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.873278
Charge, e:	1

Chem-info

IUPAC name:

(E)-2-[(E)-3-(4-bromophenyl)prop-2-enoxy]-2-hydroxyethenediazonium

Drug info:

PubChemData

Smile

C1=CC(=CC=C1/C=C/CO/C(=C/[N+]#N)/O)Cl

DOS

IR

Vibrations