Geometry & MOs

Info

ID:	190852
PubChem CID:	78068951
Reduced:	NOF2H11C13 (1)
Stoich.:	ABC2D11E13 (1)
Weight, g/mol:	251.05132
ΔH_f, kcal/mol:	-83.89
Dipole, Da:	2.48
IP(EA), eV:	-9.97(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-3H-pyridin-4-one

Drug info:

PubChemData

Smile

CC1=NC=CC(=O)C1CC2=C(C=CC=C2F)F

DOS

IR

Vibrations