Geometry & MOs

Info

ID:	294379
PubChem CID:	117454989
Reduced:	BrO2C13H15 (1)
Stoich.:	AB2C13D15 (1)
Weight, g/mol:	282.02554
ΔH_f, kcal/mol:	-49.15
Dipole, Da:	1.91
IP(EA), eV:	-9.47(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromo-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)Br)OCC2CC2)C(=O)C

DOS

IR

Vibrations