Geometry & MOs

Info

ID:	220248
PubChem CID:	85177021
Reduced:	BrOC10H15 (1)
Stoich.:	ABC10D15 (1)
Weight, g/mol:	231.125929
ΔH_f, kcal/mol:	-67.55
Dipole, Da:	4.85
IP(EA), eV:	-10.02(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-acetyl-11-azatricyclo[5.3.1.04,11]undeca-1,3-dien-2-yl)ethanone

Drug info:

PubChemData

Smile

C1C2CC(CC1CC(=O)C2)CBr

DOS

IR

Vibrations