Geometry & MOs

Info

ID:	443828
PubChem CID:	135260114
Reduced:	OH10C11 (2)
Stoich.:	AB10C11 (2)
Weight, g/mol:	296.141245
ΔH_f, kcal/mol:	-2.68
Dipole, Da:	4.17
IP(EA), eV:	-8.75(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(E)-4-(4-methoxyphenyl)-3-methylbut-1-enyl]-1,3-benzodioxole

Drug info:

PubChemData

Smile

C/C(=C\CC1=CC=C(C=C1)OC)/C2=C(C3=CC=CC=C3C=C2)C=O

DOS

IR

Vibrations