Geometry & MOs

Info

ID:	220284
PubChem CID:	85177245
Reduced:	O4C13H22 (1)
Stoich.:	A4B13C22 (1)
Weight, g/mol:	242.13068
ΔH_f, kcal/mol:	-136.75
Dipole, Da:	2.49
IP(EA), eV:	-8.01(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 8-phenyloct-2-en-7-ynoate

Drug info:

PubChemData

Smile

CC(=CC(OC)OC)COC=C(C)C=COC

DOS

IR

Vibrations