Geometry & MOs

Info

ID:	45402
PubChem CID:	10512782
Reduced:	NOC11H15 (1)
Stoich.:	ABC11D15 (1)
Weight, g/mol:	214.09938
ΔH_f, kcal/mol:	-12.27
Dipole, Da:	2.34
IP(EA), eV:	-9.14(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-6-phenylhex-2-en-5-ynoate

Drug info:

PubChemData

Smile

C1C[C@H]([C@H]1N)OCC2=CC=CC=C2

DOS

IR

Vibrations