Geometry & MOs

Info

ID:	333651
PubChem CID:	127252203
Reduced:	FON4C20H21 (1)
Stoich.:	ABC4D20E21 (1)
Weight, g/mol:	413.171497
ΔH_f, kcal/mol:	11.24
Dipole, Da:	4.54
IP(EA), eV:	-8.98(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CC1C2=NNC(=C2)COC3=CC=C(C=C3)F)CC4=CN=CC=C4

DOS

IR

Vibrations