Geometry & MOs

Info

ID:	283867
PubChem CID:	104014141
Reduced:	NOF3H14C16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	257.152812
ΔH_f, kcal/mol:	-162.66
Dipole, Da:	6.23
IP(EA), eV:	-9.86(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-dimethylpyridin-2-yl)-2-(1-propylimidazol-2-yl)ethanone

Drug info:

PubChemData

Smile

CC1=CC(=C(N=C1)C(=O)CC2=CC=C(C=C2)C(F)(F)F)C

DOS

IR

Vibrations