Geometry & MOs

Info

ID:	229491
PubChem CID:	87567840
Reduced:	FSN2O3C22H23 (1)
Stoich.:	ABC2D3E22F23 (1)
Weight, g/mol:	342.194343
ΔH_f, kcal/mol:	-79.18
Dipole, Da:	2.31
IP(EA), eV:	-9.03(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-morpholin-4-yl-6-[4-(pentylamino)phenyl]pyran-4-one

Drug info:

PubChemData

Smile

CC(=O)SC\1CCN(C/C1=C\C2=COC=N2)C(C3=CC=CC=C3F)C(=O)C4CC4

DOS

IR

Vibrations