Geometry & MOs

Info

ID:	411909
PubChem CID:	135084763
Reduced:	O3C13H18 (1)
Stoich.:	A3B13C18 (1)
Weight, g/mol:	206.167065
ΔH_f, kcal/mol:	-97.65
Dipole, Da:	1.96
IP(EA), eV:	-9.97(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-5-methyltridec-7-en-2-yn-6-one

Drug info:

PubChemData

Smile

CCCCCC(C=C)OC(=O)C1=CC=CO1

DOS

IR

Vibrations