Geometry & MOs

Info

ID:	6471
PubChem CID:	68703
Reduced:	NO2C15H21 (1)
Stoich.:	AB2C15D21 (1)
Weight, g/mol:	247.157229
ΔH_f, kcal/mol:	-92.83
Dipole, Da:	4.38
IP(EA), eV:	-10.45(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(5S)-3,3,5-trimethylcyclohexyl] pyridine-3-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1CC(CC(C1)(C)C)OC(=O)C2=CN=CC=C2

DOS

IR

Vibrations