Geometry & MOs

Info

ID:	49149
PubChem CID:	11528763
Reduced:	OSC14H16 (1)
Stoich.:	ABC14D16 (1)
Weight, g/mol:	232.091956
ΔH_f, kcal/mol:	-2.7
Dipole, Da:	3.79
IP(EA), eV:	-8.83(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methoxyphenyl)-3-trimethylsilylprop-2-yn-1-one

Drug info:

PubChemData

Smile

C=CC1(CCCC(=C1)SC2=CC=CC=C2)O

DOS

IR

Vibrations