Geometry & MOs

Info

ID:	47787
PubChem CID:	10535282
Reduced:	OC12H16 (1)
Stoich.:	AB12C16 (1)
Weight, g/mol:	176.120115
ΔH_f, kcal/mol:	-24.44
Dipole, Da:	1.87
IP(EA), eV:	-9.46(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6E)-dodeca-6,11-dien-1-yn-3-one

Drug info:

PubChemData

Smile

C[C@@]1(C[C@]1(C)C2=CC=CC=C2)CO

DOS

IR

Vibrations