Geometry & MOs

Info

ID:	217803
PubChem CID:	85088414
Reduced:	BrO4H17C20 (1)
Stoich.:	AB4C17D20 (1)
Weight, g/mol:	400.08854
ΔH_f, kcal/mol:	-95.41
Dipole, Da:	7.27
IP(EA), eV:	-9.37(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-bromo-1,5,9-trimethyl-10-prop-2-ynoxy-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(=CC(=O)C(=O)C=C(C2=CC=C(C=C2)Br)O)O)C

DOS

IR

Vibrations