Geometry & MOs

Info

ID:	163588
PubChem CID:	58053249
Reduced:	N5O5H19C27 (1)
Stoich.:	A5B5C19D27 (1)
Weight, g/mol:	240.97384
ΔH_f, kcal/mol:	-41.37
Dipole, Da:	7.8
IP(EA), eV:	-9.39(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-bromo-6-methoxy-2,3-dihydroisoindol-1-one

Drug info:

PubChemData

Smile

COC1=CC2=C(CN(C2=O)C[C@]3(CC(=O)NC3=O)C4=CC5=C(O4)C=CC(=N5)C6=CN=C(C=C6)C#N)C=C1

DOS

IR

Vibrations