Geometry & MOs

Info

ID:	373973
PubChem CID:	131321884
Reduced:	OSN2C10H16 (1)
Stoich.:	ABC2D10E16 (1)
Weight, g/mol:	251.99134
ΔH_f, kcal/mol:	-41.25
Dipole, Da:	2.84
IP(EA), eV:	-8.1(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(chloromethyl)-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(S1)N2CCC(CC2)O)N

DOS

IR

Vibrations