Geometry & MOs

Info

ID:	212212
PubChem CID:	81059841
Reduced:	OF2N2H10C14 (1)
Stoich.:	AB2C2D10E14 (1)
Weight, g/mol:	232.121178
ΔH_f, kcal/mol:	-53.95
Dipole, Da:	4.7
IP(EA), eV:	-9.84(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethyl-4-(oxan-4-yloxy)pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)OC2=CC(=C(C=C2)F)F

DOS

IR

Vibrations