Geometry & MOs

Info

ID:	20626
PubChem CID:	584906
Reduced:	NO4C27H27 (1)
Stoich.:	AB4C27D27 (1)
Weight, g/mol:	429.194008
ΔH_f, kcal/mol:	-137.99
Dipole, Da:	5.27
IP(EA), eV:	-9.36(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-adamantyl 2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)OC(=O)C(CC4=CC=CC=C4)N5C(=O)C6=CC=CC=C6C5=O

DOS

IR

Vibrations