Geometry & MOs

Info

ID:	268589
PubChem CID:	103600133
Reduced:	IN2O2H13C14 (1)
Stoich.:	AB2C2D13E14 (1)
Weight, g/mol:	462.88355
ΔH_f, kcal/mol:	-26.9
Dipole, Da:	4.2
IP(EA), eV:	-9.09(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[1-(2-chlorophenyl)ethyl]-2-iodobenzamide

Drug info:

PubChemData

Smile

CC(C1=CC=CC=N1)NC(=O)C2=C(C=CC(=C2)I)O

DOS

IR

Vibrations