Geometry & MOs

Info

ID:	371865
PubChem CID:	131276124
Reduced:	N2O2C11H14 (1)
Stoich.:	A2B2C11D14 (1)
Weight, g/mol:	171.04957
ΔH_f, kcal/mol:	-26.46
Dipole, Da:	4.52
IP(EA), eV:	-10.44(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CC(C2=C(ON=C2C1)CC#N)O)C

DOS

IR

Vibrations