Geometry & MOs

Info

ID:	79957
PubChem CID:	49831816
Reduced:	O4C11H14 (1)
Stoich.:	A4B11C14 (1)
Weight, g/mol:	382.07797
ΔH_f, kcal/mol:	-170.31
Dipole, Da:	3.72
IP(EA), eV:	-8.94(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (7E)-17-bromo-2,13-dioxabicyclo[12.2.2]octadeca-1(17),7,14(18),15-tetraene-15-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1CCCCC(=O)O)O)O

DOS

IR

Vibrations