Geometry & MOs

Info

ID:	159458
PubChem CID:	57280237
Reduced:	N3O3H25C28 (1)
Stoich.:	A3B3C25D28 (1)
Weight, g/mol:	306.110338
ΔH_f, kcal/mol:	-12.3
Dipole, Da:	6.76
IP(EA), eV:	-8.49(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclohexylspiro[3-oxabicyclo[3.2.2]nonane-7,3'-oxetane]-2,2',4,4'-tetrone

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)C2C3=CC=CN3CC4=CC=CC=C4N2)NC(=O)C5=CC=CC=C5OC

DOS

IR

Vibrations