Geometry & MOs

Info

ID:	397055
PubChem CID:	135029656
Reduced:	O3H20C25 (1)
Stoich.:	A3B20C25 (1)
Weight, g/mol:	142.09938
ΔH_f, kcal/mol:	-6.41
Dipole, Da:	1.61
IP(EA), eV:	-8.79(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R)-hex-5-en-3-yl] acetate

Drug info:

PubChemData

Smile

CC1(C(=O)C2=C(C=CC(=C2)C#CC3=CC=CC=C3)OC1(C4=CC=CC=C4)O)C

DOS

IR

Vibrations