Geometry & MOs

Info

ID:	333709
PubChem CID:	127252261
Reduced:	ClO2N3H18C21 (1)
Stoich.:	AB2C3D18E21 (1)
Weight, g/mol:	427.150761
ΔH_f, kcal/mol:	2.11
Dipole, Da:	2.54
IP(EA), eV:	-9.38(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)C2=CN=CC=C2)C3=NC=C(C=C3)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations