Geometry & MOs

Info

ID:	332988
PubChem CID:	127251412
Reduced:	ClN2O2H23C24 (1)
Stoich.:	AB2C2D23E24 (1)
Weight, g/mol:	411.232205
ΔH_f, kcal/mol:	-26.28
Dipole, Da:	3.18
IP(EA), eV:	-9.4(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[4-[(3-fluorophenyl)methyl]-6-methylpyridin-2-yl]morpholin-4-yl]-1-piperidin-1-ylethanone

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CN(CCO2)C(=O)C3=CC=CC=C3)CC4=CC=CC=C4Cl

DOS

IR

Vibrations