Geometry & MOs

Info

ID:	222552
PubChem CID:	85305510
Reduced:	BrO2H17C20 (1)
Stoich.:	AB2C17D20 (1)
Weight, g/mol:	368.09871
ΔH_f, kcal/mol:	-5.13
Dipole, Da:	1.32
IP(EA), eV:	-8.79(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-(3-bromopropyl)-4,4,7,11-tetramethyl-3,5-dioxatetracyclo[5.5.1.02,6.08,12]tridec-10-en-9-one

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)C=CC2=C(C3=CC=CC=C3C=C2)Br)OC

DOS

IR

Vibrations