Geometry & MOs

Info

ID:	323048
PubChem CID:	126671899
Reduced:	FCl2N2O3H7C13 (1)
Stoich.:	AB2C2D3E7F13 (1)
Weight, g/mol:	267.147058
ΔH_f, kcal/mol:	-115.28
Dipole, Da:	4.83
IP(EA), eV:	-9.57(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-[4-(methylamino)phenoxy]ethoxy]ethoxy]propan-2-one

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1C2=NC(=C(C(=C2)N)Cl)C(=O)O)F)C=O)Cl

DOS

IR

Vibrations