Geometry & MOs

Info

ID:	212599
PubChem CID:	81061156
Reduced:	ON3C15H21 (1)
Stoich.:	AB3C15D21 (1)
Weight, g/mol:	259.168462
ΔH_f, kcal/mol:	-17.85
Dipole, Da:	5.06
IP(EA), eV:	-9.01(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-hydroxycyclohexyl)methylamino]-2,6-dimethylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)NCCOC2CCCC2

DOS

IR

Vibrations