Geometry & MOs

Info

ID:	387759
PubChem CID:	134986760
Reduced:	NOC6H7 (2)
Stoich.:	ABC6D7 (2)
Weight, g/mol:	219.113353
ΔH_f, kcal/mol:	-16.44
Dipole, Da:	3.64
IP(EA), eV:	-9.93(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(E)-1,3-dihydroxy-1-phenylhex-1-ene-2-diazonium

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations