Geometry & MOs

Info

ID:	404279
PubChem CID:	135065650
Reduced:	NOC14H21 (1)
Stoich.:	ABC14D21 (1)
Weight, g/mol:	226.156895
ΔH_f, kcal/mol:	-49.15
Dipole, Da:	3.89
IP(EA), eV:	-9.72(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E,3S)-1-(3-methyloxiran-2-yl)oct-1-en-3-yl] acetate

Drug info:

PubChemData

Smile

CCC(CC)CCNC(=O)C1=CC=CC=C1

DOS

IR

Vibrations