Geometry & MOs

Info

ID:	306116
PubChem CID:	125001672
Reduced:	FN2O2C22H25 (1)
Stoich.:	AB2C2D22E25 (1)
Weight, g/mol:	413.171497
ΔH_f, kcal/mol:	-92.38
Dipole, Da:	5.0
IP(EA), eV:	-9.15(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C[C@]2(CCN(C1)CC3=CC=C(C=C3)F)CN(C(=O)O2)CC4=CC=CC=C4

DOS

IR

Vibrations