Geometry & MOs

Info

ID:	378761
PubChem CID:	134224858
Reduced:	BrN2H19C28 (1)
Stoich.:	AB2C19D28 (1)
Weight, g/mol:	260.125988
ΔH_f, kcal/mol:	117.24
Dipole, Da:	3.04
IP(EA), eV:	-8.06(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3'aR,6'aS)-2,2,2',2'-tetramethylspiro[1,3-dioxane-5,5'-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole]-6'-ol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC(=C(C=C4)N)Br)C5=C2C=CC6=CC=CC=C65

DOS

IR

Vibrations