Geometry & MOs

Info

ID:	212530
PubChem CID:	81060858
Reduced:	ON4C13H16 (1)
Stoich.:	AB4C13D16 (1)
Weight, g/mol:	257.189198
ΔH_f, kcal/mol:	0.26
Dipole, Da:	2.03
IP(EA), eV:	-9.38(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3,5-dimethylcyclohexyl)amino]-2,6-dimethylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1C(=O)NCCN1C2=C(C(=NC(=C2)C)C)C#N

DOS

IR

Vibrations