Geometry & MOs

Info

ID:	306059
PubChem CID:	125001494
Reduced:	F2N2O3C18H24 (1)
Stoich.:	A2B2C3D18E24 (1)
Weight, g/mol:	413.171497
ΔH_f, kcal/mol:	-227.39
Dipole, Da:	2.98
IP(EA), eV:	-9.15(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)N2CC[C@](C2)(CN3CCC(CC3)(F)F)O

DOS

IR

Vibrations