Geometry & MOs

Info

ID:	373434
PubChem CID:	131315162
Reduced:	ClINSH7C11 (1)
Stoich.:	ABCDE7F11 (1)
Weight, g/mol:	244.986669
ΔH_f, kcal/mol:	70.35
Dipole, Da:	2.24
IP(EA), eV:	-9.1(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(chloromethyl)-5-fluoro-2-(trifluoromethoxy)-1H-pyridin-4-one

Drug info:

PubChemData

Smile

C1=CSC2=C(C(=CC(=C21)I)CCl)CC#N

DOS

IR

Vibrations