Geometry & MOs

Info

ID:	221412
PubChem CID:	85272558
Reduced:	OC8H11 (2)
Stoich.:	AB8C11 (2)
Weight, g/mol:	246.16198
ΔH_f, kcal/mol:	-84.59
Dipole, Da:	0.92
IP(EA), eV:	-9.27(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-tert-butylphenyl)hexane-3,4-dione

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations