Geometry & MOs

Info

ID:	54747
PubChem CID:	17389198
Reduced:	ON3C15H21 (1)
Stoich.:	AB3C15D21 (1)
Weight, g/mol:	280.157563
ΔH_f, kcal/mol:	-10.09
Dipole, Da:	2.04
IP(EA), eV:	-10.07(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-adamantylamino)isoindol-1-one

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)CC(=O)CN4C=CN=N4

DOS

IR

Vibrations