Geometry & MOs

Info

ID:	56551
PubChem CID:	17436231
Reduced:	N3O5C20H21 (1)
Stoich.:	A3B5C20D21 (1)
Weight, g/mol:	452.20597
ΔH_f, kcal/mol:	-86.1
Dipole, Da:	7.97
IP(EA), eV:	-9.61(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-adamantylcarbamoyl)-2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)acetamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)C2=CC=CC=C2OCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations