Geometry & MOs

Info

ID:	395352
PubChem CID:	135025244
Reduced:	OH20C21 (2)
Stoich.:	AB20C21 (2)
Weight, g/mol:	166.09938
ΔH_f, kcal/mol:	93.04
Dipole, Da:	3.23
IP(EA), eV:	-8.45(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-hydroxydec-9-en-5-yn-4-one

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C2(C3=C(C=C(C=C3)OCC)C(=C2/C(=C/C4=CC=CC=C4)/CC=C)C#CCC=C)CC5=CC=CC=C5

DOS

IR

Vibrations