Geometry & MOs

Info

ID:	20559
PubChem CID:	584589
Reduced:	NOC16H25 (1)
Stoich.:	ABC16D25 (1)
Weight, g/mol:	247.193614
ΔH_f, kcal/mol:	-51.07
Dipole, Da:	3.41
IP(EA), eV:	-9.39(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-adamantyl)-1-tert-butylaziridin-2-one

Drug info:

PubChemData

Smile

CC(C)(C)N1C(C1=O)C23CC4CC(C2)CC(C4)C3

DOS

IR

Vibrations