Geometry & MOs

Info

ID:	410816
PubChem CID:	135083617
Reduced:	AlSC6H15 (1)
Stoich.:	ABC6D15 (1)
Weight, g/mol:	242.167065
ΔH_f, kcal/mol:	-60.34
Dipole, Da:	2.15
IP(EA), eV:	-8.83(0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,7-dimethyloct-6-en-1-yn-3-yloxymethylbenzene

Drug info:

PubChemData

Smile

CCC(C)S[Al](C)C

DOS

IR

Vibrations