Geometry & MOs

Info

ID:	23030
PubChem CID:	601016
Reduced:	OSC14H18 (1)
Stoich.:	ABC14D18 (1)
Weight, g/mol:	234.107836
ΔH_f, kcal/mol:	-20.41
Dipole, Da:	2.2
IP(EA), eV:	-8.81(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4-dimethyl-1-(4-methylsulfanylphenyl)pent-1-en-3-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations