Geometry & MOs

Info

ID:	7854
PubChem CID:	74347
Reduced:	OC16H24 (1)
Stoich.:	AB16C24 (1)
Weight, g/mol:	232.182715
ΔH_f, kcal/mol:	-69.9
Dipole, Da:	3.37
IP(EA), eV:	-9.24(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-tert-butyl-2,6-dimethylphenyl)butan-1-one

Drug info:

PubChemData

Smile

CCCC(=O)C1=C(C=C(C=C1C)C(C)(C)C)C

DOS

IR

Vibrations