Geometry & MOs

Info

ID:	375366
PubChem CID:	131500102
Reduced:	ClNC13H18 (1)
Stoich.:	ABC13D18 (1)
Weight, g/mol:	236.02089
ΔH_f, kcal/mol:	-1.0
Dipole, Da:	1.65
IP(EA), eV:	-9.18(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-fluoro-5-hydroxy-4-(trifluoromethoxy)pyridin-2-yl]acetonitrile

Drug info:

PubChemData

Smile

CCC1=CC(=CC(=C1Cl)CC)[C@H]2CCN2

DOS

IR

Vibrations