Geometry & MOs

Info

ID:	45553
PubChem CID:	10514800
Reduced:	O5C13H14 (1)
Stoich.:	A5B13C14 (1)
Weight, g/mol:	250.148141
ΔH_f, kcal/mol:	-190.94
Dipole, Da:	7.13
IP(EA), eV:	-9.32(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-fluoro-3-methyl-4-[(2-methylpropan-2-yl)oxy]pyridin-2-yl]butanenitrile

Drug info:

PubChemData

Smile

CCOC(=O)C1C2=C(COC1=O)C=CC(=C2)OC

DOS

IR

Vibrations