Geometry & MOs

Info

ID:	216048
PubChem CID:	85085631
Reduced:	OC15H22 (1)
Stoich.:	AB15C22 (1)
Weight, g/mol:	217.95786
ΔH_f, kcal/mol:	-55.73
Dipole, Da:	2.19
IP(EA), eV:	-9.2(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-bromo-3,7-dioxatricyclo[4.2.1.02,4]nonan-8-one

Drug info:

PubChemData

Smile

CC1(CCCCCC(C1)C2=CC=CC=C2)O

DOS

IR

Vibrations