Geometry & MOs

Info

ID:	216234
PubChem CID:	85085928
Reduced:	ON2C6H6 (2)
Stoich.:	AB2C6D6 (2)
Weight, g/mol:	244.109944
ΔH_f, kcal/mol:	103.27
Dipole, Da:	8.13
IP(EA), eV:	-8.39(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hex-2-enyl-2-hydroxyindene-1,3-dione

Drug info:

PubChemData

Smile

CC[N+]1=NOC(=C1C=CC2=CC=CC=C2)N=N[O-]

DOS

IR

Vibrations