Geometry & MOs

Info

ID:	384553
PubChem CID:	134977211
Reduced:	H7C10 (2)
Stoich.:	A7B10 (2)
Weight, g/mol:	196.073559
ΔH_f, kcal/mol:	170.46
Dipole, Da:	0.03
IP(EA), eV:	-9.18(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-6-acetyloxyhex-4-en-2-ynoate

Drug info:

PubChemData

Smile

C=C(C#CC1=CC=CC=C1)C(=C)C#CC2=CC=CC=C2

DOS

IR

Vibrations