Geometry & MOs

Info

ID:	88899
PubChem CID:	49957478
Reduced:	O3N6C16H26 (1)
Stoich.:	A3B6C16D26 (1)
Weight, g/mol:	489.85806
ΔH_f, kcal/mol:	-72.62
Dipole, Da:	4.2
IP(EA), eV:	-9.29(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-bromo-4-chlorophenoxy)methyl]-5-(2-iodophenyl)-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)NC2=NON=C2NC(=O)NC3CCCCC3

DOS

IR

Vibrations