Geometry & MOs

Info

ID:	352531
PubChem CID:	127283619
Reduced:	NOSC14H17 (1)
Stoich.:	ABCD14E17 (1)
Weight, g/mol:	259.193614
ΔH_f, kcal/mol:	-12.35
Dipole, Da:	4.22
IP(EA), eV:	-8.94(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-adamantyl-(4-methylidenepiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

C=C1CCN(CC1)C(=O)C2=CC3=C(S2)CCC3

DOS

IR

Vibrations