Geometry & MOs

Info

ID:	193942
PubChem CID:	78459490
Reduced:	NO5C22H25 (1)
Stoich.:	AB5C22D25 (1)
Weight, g/mol:	314.155632
ΔH_f, kcal/mol:	-179.4
Dipole, Da:	4.88
IP(EA), eV:	-9.36(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-(4-fluorophenyl)-3-morpholin-4-ium-4-yl-2-phenylpropan-1-one

Drug info:

PubChemData

Smile

CC(C(=O)NCC1=CC=CC=C1)OC(=O)CCCOC2=CC=C(C=C2)C(=O)C

DOS

IR

Vibrations