Geometry & MOs

Info

ID:	333656
PubChem CID:	127252208
Reduced:	O2N5C22H25 (1)
Stoich.:	A2B5C22D25 (1)
Weight, g/mol:	413.171497
ΔH_f, kcal/mol:	12.8
Dipole, Da:	4.05
IP(EA), eV:	-8.82(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CNC(=O)C2=NNC(=C2)C3CCN(C3)CC4=CN=CC=C4

DOS

IR

Vibrations