Geometry & MOs

Info

ID:	276569
PubChem CID:	103824324
Reduced:	OCl2N2C13H18 (1)
Stoich.:	AB2C2D13E18 (1)
Weight, g/mol:	316.05865
ΔH_f, kcal/mol:	-55.52
Dipole, Da:	3.77
IP(EA), eV:	-9.34(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-bromo-4-fluorophenyl)methylamino]-N,2,2-trimethylpropanamide

Drug info:

PubChemData

Smile

CC(C)(CNCC1=CC(=CC(=C1)Cl)Cl)C(=O)NC

DOS

IR

Vibrations