Geometry & MOs

Info

ID:	413711
PubChem CID:	135086661
Reduced:	OC7H9 (2)
Stoich.:	AB7C9 (2)
Weight, g/mol:	216.11503
ΔH_f, kcal/mol:	-89.06
Dipole, Da:	2.78
IP(EA), eV:	-9.17(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,6-dimethylphenyl)methyl]cyclopentane-1,3-dione

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations