Geometry & MOs

Info

ID:	410805
PubChem CID:	135083606
Reduced:	C7H9 (2)
Stoich.:	A7B9 (2)
Weight, g/mol:	212.121989
ΔH_f, kcal/mol:	-1.75
Dipole, Da:	0.2
IP(EA), eV:	-8.84(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)prop-1-enyl] acetate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)C2=CCCCC2)C

DOS

IR

Vibrations