Geometry & MOs

Info

ID:	333630
PubChem CID:	127252182
Reduced:	ClFN2O2H18C22 (1)
Stoich.:	ABC2D2E18F22 (1)
Weight, g/mol:	444.146091
ΔH_f, kcal/mol:	-56.16
Dipole, Da:	1.42
IP(EA), eV:	-9.35(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-fluorophenyl)-[2-[5-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-yl]morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)C2=CC=C(C=C2)F)C3=NC=C(C=C3)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations