Geometry & MOs

Info

ID:	333726
PubChem CID:	127252278
Reduced:	F3N3O3C22H26 (1)
Stoich.:	A3B3C3D22E26 (1)
Weight, g/mol:	441.166411
ΔH_f, kcal/mol:	-224.19
Dipole, Da:	5.74
IP(EA), eV:	-9.06(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-pyridin-4-yl-1-[2-[6-[[2-(trifluoromethyl)phenyl]methyl]pyridin-2-yl]morpholin-4-yl]ethanone

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C2CN(CCO2)C(=O)C3CCC3)CCOC4=CC=CC(=C4)C(F)(F)F

DOS

IR

Vibrations