Geometry & MOs

Info

ID:	21787
PubChem CID:	589971
Reduced:	O2C13H16 (1)
Stoich.:	A2B13C16 (1)
Weight, g/mol:	204.11503
ΔH_f, kcal/mol:	-72.47
Dipole, Da:	0.48
IP(EA), eV:	-9.96(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4-dimethyl-1-phenylpentane-1,3-dione

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations