Geometry & MOs

Info

ID:	319094
PubChem CID:	126654755
Reduced:	NO4C21H35 (1)
Stoich.:	AB4C21D35 (1)
Weight, g/mol:	369.231537
ΔH_f, kcal/mol:	-178.54
Dipole, Da:	4.35
IP(EA), eV:	-7.76(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C(=O)COCCCCOCCCOC1=CC=C(C=C1)NC(C)C

DOS

IR

Vibrations