Geometry & MOs

Info

ID:	79958
PubChem CID:	49831826
Reduced:	BrO4C18H23 (1)
Stoich.:	AB4C18D23 (1)
Weight, g/mol:	167.069477
ΔH_f, kcal/mol:	-141.8
Dipole, Da:	5.33
IP(EA), eV:	-9.22(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-cyano-2-diazonio-1-[(2-methylpropan-2-yl)oxy]ethenolate

Drug info:

PubChemData

Smile

COC(=O)C1=CC2=C(C=C1OCCCC/C=C/CCCCO2)Br

DOS

IR

Vibrations