Geometry & MOs

Info

ID:	340399
PubChem CID:	127262410
Reduced:	OC9H16 (1)
Stoich.:	AB9C16 (1)
Weight, g/mol:	234.125594
ΔH_f, kcal/mol:	-71.49
Dipole, Da:	3.38
IP(EA), eV:	-9.72(0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[4-[(E)-but-2-enoxy]phenyl]acetate

Drug info:

PubChemData

Smile

C[C@H]1CCCCC(=O)[C@@H]1C

DOS

IR

Vibrations