Geometry & MOs

Info

ID:	212270
PubChem CID:	81059965
Reduced:	NOC5H7 (3)
Stoich.:	ABC5D7 (3)
Weight, g/mol:	289.179027
ΔH_f, kcal/mol:	-142.52
Dipole, Da:	6.98
IP(EA), eV:	-9.33(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(3-cyano-2,6-dimethylpyridin-4-yl)amino]methyl]-5-methylhexanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C(=O)N)NC2(CCCC2)CC(=O)O

DOS

IR

Vibrations