Geometry & MOs

Info

ID:	385814
PubChem CID:	134980057
Reduced:	NOF7C12H12 (1)
Stoich.:	ABC7D12E12 (1)
Weight, g/mol:	244.14633
ΔH_f, kcal/mol:	-377.1
Dipole, Da:	4.92
IP(EA), eV:	-10.09(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-3-methylidene-7-phenylhept-6-enyl] acetate

Drug info:

PubChemData

Smile

CNC(=O)[C@H]1[C@H]2C[C@@H]([C@@H]1C(C(C(F)(F)F)(F)F)(F)F)C=C2

DOS

IR

Vibrations