Geometry & MOs

Info

ID:	406953
PubChem CID:	135079011
Reduced:	N2F3O5C21H25 (1)
Stoich.:	A2B3C5D21E25 (1)
Weight, g/mol:	443.179381
ΔH_f, kcal/mol:	-331.83
Dipole, Da:	5.31
IP(EA), eV:	-10.44(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(E)-1-(2,4-dimethylpentan-3-yloxy)-3-hydroxy-1-oxo-6-[4-(trifluoromethoxycarbonyl)phenyl]hex-2-ene-2-diazonium

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations