Geometry & MOs

Info

ID:	215952
PubChem CID:	85085492
Reduced:	BrC9H15 (1)
Stoich.:	AB9C15 (1)
Weight, g/mol:	203.058243
ΔH_f, kcal/mol:	-11.97
Dipole, Da:	4.61
IP(EA), eV:	-8.98(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5a-dihydro-2H-[1,4]dioxino[2,3-g]isoquinolin-6-one

Drug info:

PubChemData

Smile

CC(=CC=CC(C)(C)Br)C

DOS

IR

Vibrations