Geometry & MOs

Info

ID:	333639
PubChem CID:	127252191
Reduced:	OF3N3H22C23 (1)
Stoich.:	AB3C3D22E23 (1)
Weight, g/mol:	427.187147
ΔH_f, kcal/mol:	-117.21
Dipole, Da:	2.7
IP(EA), eV:	-8.89(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-yl]-4-(pyridin-4-ylmethyl)morpholine

Drug info:

PubChemData

Smile

C1COC(CN1CC2=CC=NC=C2)C3=NC=C(C=C3)CC4=CC(=CC=C4)C(F)(F)F

DOS

IR

Vibrations