Geometry & MOs

Info

ID:	143484
PubChem CID:	53216013
Reduced:	NSO3C11H19 (1)
Stoich.:	ABC3D11E19 (1)
Weight, g/mol:	217.18305
ΔH_f, kcal/mol:	-154.81
Dipole, Da:	5.49
IP(EA), eV:	-9.37(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-adamantyl)-3,6-dihydro-2H-pyridine

Drug info:

PubChemData

Smile

CCCCC(C)C(=O)N1CSC[C@H]1C(=O)O

DOS

IR

Vibrations