Geometry & MOs

Info

ID:	287809
PubChem CID:	104295090
Reduced:	SF2N3H7C9 (1)
Stoich.:	AB2C3D7E9 (1)
Weight, g/mol:	261.09652
ΔH_f, kcal/mol:	-26.28
Dipole, Da:	2.37
IP(EA), eV:	-9.07(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,4-difluoro-5-methylphenyl)-2-(3-methylpyridin-2-yl)ethanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)F)C2=NN=C(S2)N

DOS

IR

Vibrations