Geometry & MOs

Info

ID:	333627
PubChem CID:	127252179
Reduced:	FO3N5C23H26 (1)
Stoich.:	AB3C5D23E26 (1)
Weight, g/mol:	444.146091
ΔH_f, kcal/mol:	-73.3
Dipole, Da:	4.74
IP(EA), eV:	-8.57(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-fluorophenyl)-[2-[6-[[2-(trifluoromethyl)phenyl]methyl]pyridin-2-yl]morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=NN2C(=CC=NC2=C1CN3CCOCC3)C4CN(CCO4)C(=O)C5=CC=C(C=C5)F

DOS

IR

Vibrations