Geometry & MOs

Info

ID:	287844
PubChem CID:	104296363
Reduced:	BrNO5C12H12 (1)
Stoich.:	ABC5D12E12 (1)
Weight, g/mol:	299.9665
ΔH_f, kcal/mol:	-197.73
Dipole, Da:	4.72
IP(EA), eV:	-10.0(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromo-3-methylphenyl)-5-(2-chloroethyl)-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC(CC(=O)O)C(=O)O)Br

DOS

IR

Vibrations