Geometry & MOs

Info

ID:	212604
PubChem CID:	81061174
Reduced:	ClON2H15C16 (1)
Stoich.:	ABC2D15E16 (1)
Weight, g/mol:	218.141913
ΔH_f, kcal/mol:	11.8
Dipole, Da:	4.88
IP(EA), eV:	-9.53(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethyl-4-pentoxypyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CCC1=C(C=CC(=C1)OC2=C(C(=NC(=C2)C)C)C#N)Cl

DOS

IR

Vibrations