Geometry & MOs

Info

ID:	325561
PubChem CID:	126683972
Reduced:	NO4C8H9 (2)
Stoich.:	AB4C8D9 (2)
Weight, g/mol:	192.11503
ΔH_f, kcal/mol:	-274.13
Dipole, Da:	1.63
IP(EA), eV:	-10.38(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2E,4Z)-hexa-2,4-dien-2-yl]cyclohexane-1,3-dione

Drug info:

PubChemData

Smile

C1CC(CC1CC(=O)ON2C(=O)CCC2=O)C(=O)ON3C(=O)CCC3=O

DOS

IR

Vibrations