Geometry & MOs

Info

ID:	20477
PubChem CID:	584198
Reduced:	OC7H9 (2)
Stoich.:	AB7C9 (2)
Weight, g/mol:	218.13068
ΔH_f, kcal/mol:	-76.48
Dipole, Da:	1.23
IP(EA), eV:	-10.0(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dimethyl-1-phenylhexane-1,3-dione

Drug info:

PubChemData

Smile

CC(C)CC(=O)C(C)C(=O)C1=CC=CC=C1

DOS

IR

Vibrations