Geometry & MOs

Info

ID:	285736
PubChem CID:	104123331
Reduced:	ClON2C17H25 (1)
Stoich.:	ABC2D17E25 (1)
Weight, g/mol:	262.168128
ΔH_f, kcal/mol:	-71.36
Dipole, Da:	3.72
IP(EA), eV:	-9.92(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclooctylamino)-6-methylpyridine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)Cl)C(=O)NC2CC(CC(C2)(C)C)(C)C

DOS

IR

Vibrations