Geometry & MOs

Info

ID:	54215
PubChem CID:	15047415
Reduced:	BrN2O3C21H21 (1)
Stoich.:	AB2C3D21E21 (1)
Weight, g/mol:	429.08138
ΔH_f, kcal/mol:	-56.37
Dipole, Da:	4.19
IP(EA), eV:	-10.11(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(E)-1-(3-bromo-1-adamantyl)-1-hydroxy-3,5-dioxo-5-phenylpent-1-ene-2-diazonium

Drug info:

PubChemData

Smile

C1C2CC3(CC1CC(C2)(C3)Br)/C(=C(/C(=O)CC(=O)C4=CC=CC=C4)\[N+]#N)/[O-]

DOS

IR

Vibrations