Geometry & MOs

Info

ID:	29390
PubChem CID:	833484
Reduced:	BrClO2H12C15 (1)
Stoich.:	ABC2D12E15 (1)
Weight, g/mol:	297.100108
ΔH_f, kcal/mol:	-45.34
Dipole, Da:	2.64
IP(EA), eV:	-9.4(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methoxy-2-(2-methoxyphenyl)-4H-isoquinoline-1,3-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCC(=O)OC2=C(C=C(C=C2)Br)Cl

DOS

IR

Vibrations