Geometry & MOs

Info

ID:	211732
PubChem CID:	81051663
Reduced:	ON3C12H17 (1)
Stoich.:	AB3C12D17 (1)
Weight, g/mol:	276.183778
ΔH_f, kcal/mol:	-13.11
Dipole, Da:	5.83
IP(EA), eV:	-9.64(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(cyclooctylamino)-2,6-dimethylpyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations