Geometry & MOs

Info

ID:	145990
PubChem CID:	53621411
Reduced:	BrON4H11C15 (1)
Stoich.:	ABC4D11E15 (1)
Weight, g/mol:	325.153875
ΔH_f, kcal/mol:	55.87
Dipole, Da:	3.51
IP(EA), eV:	-8.93(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-[2-(1,2,4-triazol-1-yl)ethyl]imidazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NC(=O)C2=CC(=CN=C2)Br)C3=NC=CN3

DOS

IR

Vibrations