Geometry & MOs

Info

ID:	323051
PubChem CID:	126671904
Reduced:	NO5C20H33 (1)
Stoich.:	AB5C20D33 (1)
Weight, g/mol:	313.168936
ΔH_f, kcal/mol:	-203.19
Dipole, Da:	2.23
IP(EA), eV:	-7.86(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[3-[2-fluoro-4-(methylamino)phenoxy]propoxy]propoxy]propan-2-one

Drug info:

PubChemData

Smile

CC(=O)COCCCOCCCCOCCCOC1=CC=C(C=C1)NC

DOS

IR

Vibrations