Geometry & MOs

Info

ID:	168315
PubChem CID:	74951138
Reduced:	BrSiO5C23H35 (1)
Stoich.:	ABC5D23E35 (1)
Weight, g/mol:	426.167853
ΔH_f, kcal/mol:	-241.2
Dipole, Da:	3.83
IP(EA), eV:	-8.69(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(1,3-benzodioxol-5-yl)-4-[(4-methoxyphenyl)methoxy]-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-5-ol

Drug info:

PubChemData

Smile

CC1(OC2C(C(C=C(C2O1)Br)O[Si](C)(C)C(C)(C)C)OCC3=CC=C(C=C3)OC)C

DOS

IR

Vibrations