Geometry & MOs

Info

ID:	283667
PubChem CID:	103997117
Reduced:	BrIN2O2C12H12 (1)
Stoich.:	ABC2D2E12F12 (1)
Weight, g/mol:	285.111341
ΔH_f, kcal/mol:	-29.57
Dipole, Da:	5.86
IP(EA), eV:	-9.6(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-imidazol-1-ylpropanoyl)-1,3-dihydroisoindole-5-carboxylic acid

Drug info:

PubChemData

Smile

C1CNC(=O)CN(C1)C(=O)C2=C(C=CC(=C2)I)Br

DOS

IR

Vibrations