Geometry & MOs

Info

ID:	284009
PubChem CID:	104026150
Reduced:	BrClION2H7C12 (1)
Stoich.:	ABCDE2F7G12 (1)
Weight, g/mol:	233.080041
ΔH_f, kcal/mol:	29.0
Dipole, Da:	4.77
IP(EA), eV:	-9.32(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1I)C(=O)NC2=C(C=CN=C2)Cl)Br

DOS

IR

Vibrations