Geometry & MOs

Info

ID:	386102
PubChem CID:	134980784
Reduced:	H8C9 (3)
Stoich.:	A8B9 (3)
Weight, g/mol:	248.081537
ΔH_f, kcal/mol:	155.29
Dipole, Da:	0.44
IP(EA), eV:	-8.78(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-7-acetyloxy-4-chlorohept-5-enoate

Drug info:

PubChemData

Smile

C1[C@@H]([C@@H]1C2=CC=CC=C2)[C@@H]3C(=C3C4=CC=CC=C4)[C@H]5C[C@@H]5C6=CC=CC=C6

DOS

IR

Vibrations