Geometry & MOs

Info

ID:	271435
PubChem CID:	103677777
Reduced:	ClNF2O2C14H16 (1)
Stoich.:	ABC2D2E14F16 (1)
Weight, g/mol:	278.163043
ΔH_f, kcal/mol:	-181.89
Dipole, Da:	5.17
IP(EA), eV:	-9.64(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[4-(1-hydroxyethyl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one

Drug info:

PubChemData

Smile

CC(C1CCN(CC1)C(=O)C2=CC(=C(C=C2Cl)F)F)O

DOS

IR

Vibrations