Geometry & MOs

Info

ID:	332984
PubChem CID:	127251408
Reduced:	NOC11H15 (2)
Stoich.:	ABC11D15 (2)
Weight, g/mol:	328.158706
ΔH_f, kcal/mol:	-57.46
Dipole, Da:	3.32
IP(EA), eV:	-8.81(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CN(CCO2)CC(C)C)CC3=CC(=CC=C3)OC

DOS

IR

Vibrations