Geometry & MOs

Info

ID:	406430
PubChem CID:	135077540
Reduced:	ON2F6H12C13 (1)
Stoich.:	AB2C6D12E13 (1)
Weight, g/mol:	289.118832
ΔH_f, kcal/mol:	-317.33
Dipole, Da:	4.99
IP(EA), eV:	-9.9(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(E)-1-hydroxy-1-(2-methoxycarbonylphenyl)-3-oxohept-1-ene-2-diazonium

Drug info:

PubChemData

Smile

CC(C)/C=N/NC(=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations