Geometry & MOs

Info

ID:	212519
PubChem CID:	81060826
Reduced:	NC4H5 (3)
Stoich.:	AB4C5 (3)
Weight, g/mol:	288.195011
ΔH_f, kcal/mol:	60.24
Dipole, Da:	4.98
IP(EA), eV:	-8.89(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2,6-dimethylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)N(C)C2CC2

DOS

IR

Vibrations