Geometry & MOs

Info

ID:	315336
PubChem CID:	126625643
Reduced:	IO2C12H15 (1)
Stoich.:	AB2C12D15 (1)
Weight, g/mol:	166.09938
ΔH_f, kcal/mol:	-63.84
Dipole, Da:	1.73
IP(EA), eV:	-8.72(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-4-[(Z)-but-2-enylidene]-2,2-dimethyl-5-methylidene-1,3-dioxolane

Drug info:

PubChemData

Smile

CC1(OC2=CC=CC(=C2O1)CCCI)C

DOS

IR

Vibrations