Geometry & MOs

Info

ID:	385971
PubChem CID:	134980439
Reduced:	O5H16C19 (1)
Stoich.:	A5B16C19 (1)
Weight, g/mol:	262.156895
ΔH_f, kcal/mol:	-130.97
Dipole, Da:	5.12
IP(EA), eV:	-10.23(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-4-methyl-6-phenylmethoxyhex-3-enyl] acetate

Drug info:

PubChemData

Smile

CC(=O)O[C@@H]1C=CC[C@H]2[C@@]1(C(=O)C=CC2=O)C(=O)C3=CC=CC=C3

DOS

IR

Vibrations