Geometry & MOs

Info

ID:	168275
PubChem CID:	74943722
Reduced:	O3C12H22 (5)
Stoich.:	A3B12C22 (5)
Weight, g/mol:	154.09938
ΔH_f, kcal/mol:	-734.48
Dipole, Da:	8.77
IP(EA), eV:	-9.42(0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyloct-2-en-7-yne-1,6-diol

Drug info:

PubChemData

Smile

CCCCCC=CCC=CCCCCCCCC(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC(=O)CCCCCCCC=CCC=CCCCCC

DOS

IR

Vibrations