Geometry & MOs

Info

ID:	411333
PubChem CID:	135084156
Reduced:	NOC6H6 (2)
Stoich.:	ABC6D6 (2)
Weight, g/mol:	217.097703
ΔH_f, kcal/mol:	-0.38
Dipole, Da:	0.86
IP(EA), eV:	-8.66(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(1Z,3E)-1-hydroxy-1-methoxy-4-(4-methylphenyl)buta-1,3-diene-2-diazonium

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C=C/C(=C(\[O-])/OC)/[N+]#N

DOS

IR

Vibrations