Geometry & MOs

Info

ID:	190851
PubChem CID:	78068950
Reduced:	NOCl2C17H23 (1)
Stoich.:	ABC2D17E23 (1)
Weight, g/mol:	235.08087
ΔH_f, kcal/mol:	-66.62
Dipole, Da:	3.36
IP(EA), eV:	-9.2(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2,6-difluorophenyl)methyl]-2-methyl-3H-pyridin-4-one

Drug info:

PubChemData

Smile

CCCCC1CC(=O)C(C(N1)C)CC2=C(C=CC=C2Cl)Cl

DOS

IR

Vibrations