Geometry & MOs

Info

ID:	389393
PubChem CID:	134992675
Reduced:	NC17H17 (1)
Stoich.:	AB17C17 (1)
Weight, g/mol:	184.14633
ΔH_f, kcal/mol:	83.94
Dipole, Da:	2.07
IP(EA), eV:	-8.45(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E,3S)-2-methyloct-4-en-3-yl] acetate

Drug info:

PubChemData

Smile

C[C@@H]1[C@H](N1/C=C/C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations