Geometry & MOs

Info

ID:	333638
PubChem CID:	127252190
Reduced:	ClON4C20H21 (1)
Stoich.:	ABC4D20E21 (1)
Weight, g/mol:	413.171497
ΔH_f, kcal/mol:	47.98
Dipole, Da:	6.02
IP(EA), eV:	-9.05(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(pyridin-4-ylmethyl)-2-[5-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-yl]morpholine

Drug info:

PubChemData

Smile

C1CN(CC1C2=NNC(=C2)COC3=CC=C(C=C3)Cl)CC4=CC=NC=C4

DOS

IR

Vibrations