Geometry & MOs

Info

ID:	48648
PubChem CID:	11110245
Reduced:	OC6H8 (2)
Stoich.:	AB6C8 (2)
Weight, g/mol:	328.131074
ΔH_f, kcal/mol:	-70.4
Dipole, Da:	1.65
IP(EA), eV:	-8.13(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-(2-oxo-6-phenylhex-5-ynylidene)propanedioate

Drug info:

PubChemData

Smile

COC1=C(C2=C(CCCC2)C=C1)OC

DOS

IR

Vibrations