Geometry & MOs

Info

ID:	333625
PubChem CID:	127252177
Reduced:	ClSO2N6C20H23 (1)
Stoich.:	ABC2D6E20F23 (1)
Weight, g/mol:	399.155847
ΔH_f, kcal/mol:	5.95
Dipole, Da:	2.89
IP(EA), eV:	-8.64(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-pyridin-3-yl-2-[6-[[2-(trifluoromethyl)phenyl]methyl]pyridin-2-yl]morpholine

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)N1CCC(C1)C2=C(C=NN2)C3=CC(=NC=C3)NC4=CC=C(C=C4)Cl

DOS

IR

Vibrations