Geometry & MOs

Info

ID:	380123
PubChem CID:	134965061
Reduced:	NSO3C13H15 (1)
Stoich.:	ABC3D13E15 (1)
Weight, g/mol:	218.13068
ΔH_f, kcal/mol:	-94.81
Dipole, Da:	4.39
IP(EA), eV:	-8.74(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E,2R)-6-phenylhex-3-en-2-yl] acetate

Drug info:

PubChemData

Smile

COC(=O)[C@@H]1[C@@H]2CCC(=O)[C@@H]2[C@@H](N1)C3=CC=CS3

DOS

IR

Vibrations