Geometry & MOs

Info

ID:	444573
PubChem CID:	135262888
Reduced:	BrNO2H10C11 (1)
Stoich.:	ABC2D10E11 (1)
Weight, g/mol:	269.00514
ΔH_f, kcal/mol:	-24.64
Dipole, Da:	4.82
IP(EA), eV:	-8.55(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromo-1,3-dihydroisoindol-2-yl)-2-methoxyethanone

Drug info:

PubChemData

Smile

COCC(=O)N1C=C2C=CC(=CC2=C1)Br

DOS

IR

Vibrations