Geometry & MOs

Info

ID:	268898
PubChem CID:	103602010
Reduced:	INCl2O2H8C13 (1)
Stoich.:	ABC2D2E8F13 (1)
Weight, g/mol:	282.00039
ΔH_f, kcal/mol:	-35.05
Dipole, Da:	4.68
IP(EA), eV:	-9.24(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-(2-cyanoethyl)-2-hydroxy-N-methylbenzamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1NC(=O)C2=C(C=CC(=C2)I)O)Cl)Cl

DOS

IR

Vibrations