Geometry & MOs

Info

ID:	269938
PubChem CID:	103620577
Reduced:	BrNO3C14H14 (1)
Stoich.:	ABC3D14E14 (1)
Weight, g/mol:	330.00039
ΔH_f, kcal/mol:	-95.71
Dipole, Da:	1.64
IP(EA), eV:	-9.8(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-4-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)benzonitrile

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)CN1C(=O)C2=C(C1=O)C=C(C=C2)Br

DOS

IR

Vibrations