Geometry & MOs

Info

ID:	387792
PubChem CID:	134986948
Reduced:	NBr2H9C12 (1)
Stoich.:	AB2C9D12 (1)
Weight, g/mol:	177.078979
ΔH_f, kcal/mol:	54.29
Dipole, Da:	5.33
IP(EA), eV:	-8.23(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methoxy-5,8-dihydro-2H-isoquinolin-1-one

Drug info:

PubChemData

Smile

C1=CC2(C=CC=C3N2C(=C1)C=CC3Br)Br

DOS

IR

Vibrations