Geometry & MOs

Info

ID:	409809
PubChem CID:	135082595
Reduced:	N3O4H11C23 (1)
Stoich.:	A3B4C11D23 (1)
Weight, g/mol:	201.063722
ΔH_f, kcal/mol:	208.14
Dipole, Da:	5.26
IP(EA), eV:	-9.51(-2.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5S,7R)-3-ethyl-2-oxo-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C#CC2=CC(=C(C=C2[N+](=O)[O-])C#CC3=CC=C(C=C3)C#N)[N+](=O)[O-]

DOS

IR

Vibrations