Geometry & MOs

Info

ID:	331864
PubChem CID:	127250150
Reduced:	FO2N3H20C22 (1)
Stoich.:	AB2C3D20E22 (1)
Weight, g/mol:	427.150761
ΔH_f, kcal/mol:	-38.16
Dipole, Da:	3.94
IP(EA), eV:	-9.18(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

pyridin-2-yl-[2-[5-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-yl]morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)C2=CC=CC=N2)C3=NC=C(C=C3)CC4=CC=C(C=C4)F

DOS

IR

Vibrations