Geometry & MOs

Info

ID:	413946
PubChem CID:	135086897
Reduced:	BrN2O2H9C11 (1)
Stoich.:	AB2C2D9E11 (1)
Weight, g/mol:	280.99257
ΔH_f, kcal/mol:	11.61
Dipole, Da:	3.38
IP(EA), eV:	-9.51(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(1Z,3E)-4-(4-bromophenyl)-1-hydroxy-1-methoxybuta-1,3-diene-2-diazonium

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations