Geometry & MOs

Info

ID:	269717
PubChem CID:	103618754
Reduced:	INO4C15H18 (1)
Stoich.:	ABC4D15E18 (1)
Weight, g/mol:	457.8927
ΔH_f, kcal/mol:	-156.64
Dipole, Da:	4.85
IP(EA), eV:	-9.13(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-(5-cyano-3-fluoro-2-methylphenyl)-2-iodobenzamide

Drug info:

PubChemData

Smile

C1CC2(CCC1NC(=O)C3=C(C=CC(=C3)I)O)OCCO2

DOS

IR

Vibrations