Geometry & MOs

Info

ID:	224724
PubChem CID:	85348986
Reduced:	OSF3C9H9 (1)
Stoich.:	ABC3D9E9 (1)
Weight, g/mol:	226.156895
ΔH_f, kcal/mol:	-172.88
Dipole, Da:	4.1
IP(EA), eV:	-9.28(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-but-2-enyl-2,3-dimethyloxan-4-yl) acetate

Drug info:

PubChemData

Smile

CC(C=CC1=CC=CS1)(C(F)(F)F)O

DOS

IR

Vibrations