Geometry & MOs

Info

ID:	411243
PubChem CID:	135084056
Reduced:	NOC13H17 (1)
Stoich.:	ABC13D17 (1)
Weight, g/mol:	190.062994
ΔH_f, kcal/mol:	-37.53
Dipole, Da:	4.33
IP(EA), eV:	-8.49(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-phenyloxane-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C)CC(=C)C

DOS

IR

Vibrations