Geometry & MOs

Info

ID:	399545
PubChem CID:	135040866
Reduced:	O3C11H14 (1)
Stoich.:	A3B11C14 (1)
Weight, g/mol:	184.125201
ΔH_f, kcal/mol:	-85.8
Dipole, Da:	4.95
IP(EA), eV:	-9.38(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

oct-1-en-6-yn-3-ylbenzene

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C/C=O)/C=C/C=C/C

DOS

IR

Vibrations