Geometry & MOs

Info

ID:	212254
PubChem CID:	81059942
Reduced:	N2O2C13H18 (1)
Stoich.:	A2B2C13D18 (1)
Weight, g/mol:	230.141913
ΔH_f, kcal/mol:	-50.9
Dipole, Da:	4.21
IP(EA), eV:	-9.88(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(cyclopentylmethoxy)-2,6-dimethylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CCCOCCOC1=C(C(=NC(=C1)C)C)C#N

DOS

IR

Vibrations