Geometry & MOs

Info

ID:	333653
PubChem CID:	127252205
Reduced:	ON2C11H11 (2)
Stoich.:	AB2C11D11 (2)
Weight, g/mol:	427.187147
ΔH_f, kcal/mol:	9.5
Dipole, Da:	6.84
IP(EA), eV:	-8.85(-1.0)
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-3-ylmethyl)morpholine

Drug info:

PubChemData

Smile

C1COC(CN1CC2=CN=CC=C2)C3=CC=CC(=N3)C4=CC=C(C=C4)C(=O)N

DOS

IR

Vibrations