Geometry & MOs

Info

ID:	333020
PubChem CID:	127251444
Reduced:	ClO3N5C22H24 (1)
Stoich.:	AB3C5D22E24 (1)
Weight, g/mol:	422.180584
ΔH_f, kcal/mol:	2.4
Dipole, Da:	6.14
IP(EA), eV:	-9.73(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-fluorophenyl)-1-[2-[4-[(2-fluorophenyl)methyl]-6-methylpyridin-2-yl]morpholin-4-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CN(CCO2)CC(=O)NC3=NON=C3C)CC4=CC(=CC=C4)Cl

DOS

IR

Vibrations