Geometry & MOs

Info

ID:	393904
PubChem CID:	135021935
Reduced:	C11H14 (1)
Stoich.:	A11B14 (1)
Weight, g/mol:	254.151809
ΔH_f, kcal/mol:	26.05
Dipole, Da:	0.76
IP(EA), eV:	-8.89(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-7-hydroxy-3-pent-3-yn-2-yloxyhept-2-enyl] acetate

Drug info:

PubChemData

Smile

C1CC[C@@]23C[C@]2(C1)C=CC=C3

DOS

IR

Vibrations