Geometry & MOs

Info

ID:	314059
PubChem CID:	126620207
Reduced:	NI2O3H9C11 (1)
Stoich.:	AB2C3D9E11 (1)
Weight, g/mol:	253.147807
ΔH_f, kcal/mol:	-21.55
Dipole, Da:	4.86
IP(EA), eV:	-8.95(-2.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-fluoro-5-[1-(methylamino)propan-2-yloxy]phenyl]butan-2-one

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1OCCNI)C=C(O2)C(=O)I

DOS

IR

Vibrations