Geometry & MOs

Info

ID:	22511
PubChem CID:	597398
Reduced:	O3C21H28 (1)
Stoich.:	A3B21C28 (1)
Weight, g/mol:	328.203845
ΔH_f, kcal/mol:	-145.13
Dipole, Da:	2.18
IP(EA), eV:	-9.14(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-hydroxy-9-phenylnonylidene)cyclohexane-1,3-dione

Drug info:

PubChemData

Smile

C1CC(=O)C(=C(CCCCCCCCC2=CC=CC=C2)O)C(=O)C1

DOS

IR

Vibrations