Geometry & MOs

Info

ID:	212579
PubChem CID:	81061074
Reduced:	ClON2H13C15 (1)
Stoich.:	ABC2D13E15 (1)
Weight, g/mol:	218.105528
ΔH_f, kcal/mol:	17.61
Dipole, Da:	3.54
IP(EA), eV:	-9.53(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations