Geometry & MOs

Info

ID:	212308
PubChem CID:	81060089
Reduced:	ON3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	231.137162
ΔH_f, kcal/mol:	-12.44
Dipole, Da:	3.79
IP(EA), eV:	-8.94(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(hydroxymethyl)pyrrolidin-1-yl]-2,6-dimethylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)N2CCCCC2CO

DOS

IR

Vibrations