Geometry & MOs

Info

ID:	276615
PubChem CID:	103824483
Reduced:	ClN3O4C13H16 (1)
Stoich.:	AB3C4D13E16 (1)
Weight, g/mol:	437.94399
ΔH_f, kcal/mol:	-91.42
Dipole, Da:	5.94
IP(EA), eV:	-9.74(-1.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2-iodobenzamide

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])Cl)C(=O)NC

DOS

IR

Vibrations