Geometry & MOs

Info

ID:	446680
PubChem CID:	135276881
Reduced:	OC8H11 (2)
Stoich.:	AB8C11 (2)
Weight, g/mol:	244.14633
ΔH_f, kcal/mol:	-68.03
Dipole, Da:	3.57
IP(EA), eV:	-8.69(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E,4E)-4-benzylidenehept-2-enoate

Drug info:

PubChemData

Smile

CCCC1=C(C=CCC1)/C=C/C=C/C(=O)OCC

DOS

IR

Vibrations