Geometry & MOs

Info

ID:	51282
PubChem CID:	12013927
Reduced:	BrNO4C14H14 (1)
Stoich.:	ABC4D14E14 (1)
Weight, g/mol:	297.100108
ΔH_f, kcal/mol:	-116.46
Dipole, Da:	2.4
IP(EA), eV:	-8.82(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,4-dimethoxyphenyl)methyl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(C1=O)CC2=C(C=C(C=C2)OC)OC)Br

DOS

IR

Vibrations