Geometry & MOs

Info

ID:	333710
PubChem CID:	127252262
Reduced:	O2F3N3H20C23 (1)
Stoich.:	A2B3C3D20E23 (1)
Weight, g/mol:	441.166411
ΔH_f, kcal/mol:	-155.98
Dipole, Da:	3.18
IP(EA), eV:	-9.35(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)C2=CN=CC=C2)C3=NC=C(C=C3)CC4=CC(=CC=C4)C(F)(F)F

DOS

IR

Vibrations