Geometry & MOs

Info

ID:	442051
PubChem CID:	135248551
Reduced:	O3C20H20 (1)
Stoich.:	A3B20C20 (1)
Weight, g/mol:	242.13068
ΔH_f, kcal/mol:	-93.53
Dipole, Da:	3.13
IP(EA), eV:	-8.24(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-methylbutan-2-yl)benzo[f][1,3]benzodioxole

Drug info:

PubChemData

Smile

CCC(C)(C)C(=O)OC1=CC2=CC3=C(C=C2C=C1)C=C(C=C3)O

DOS

IR

Vibrations