Geometry & MOs

Info

ID:	50227
PubChem CID:	12012739
Reduced:	NOH5C6 (3)
Stoich.:	ABC5D6 (3)
Weight, g/mol:	407.111735
ΔH_f, kcal/mol:	-26.26
Dipole, Da:	3.09
IP(EA), eV:	-8.89(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1',4-diacetyl-2'-oxospiro[1,3,4-oxadiazole-5,3'-indole]-2-yl)phenyl] acetate

Drug info:

PubChemData

Smile

CC(=O)N1C2(C3=CC=CC=C3N(C2=O)C)OC(=N1)C4=CC=CC=C4

DOS

IR

Vibrations