Geometry & MOs

Info

ID:	268591
PubChem CID:	103600137
Reduced:	ClINO2H13C15 (1)
Stoich.:	ABCD2E13F15 (1)
Weight, g/mol:	462.88355
ΔH_f, kcal/mol:	-38.24
Dipole, Da:	4.9
IP(EA), eV:	-9.32(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[1-(3-chlorophenyl)ethyl]-2-iodobenzamide

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1Cl)NC(=O)C2=C(C=CC(=C2)I)O

DOS

IR

Vibrations