Geometry & MOs

Info

ID:	396361
PubChem CID:	135028211
Reduced:	N2O6C21H24 (1)
Stoich.:	A2B6C21D24 (1)
Weight, g/mol:	163.063329
ΔH_f, kcal/mol:	-94.98
Dipole, Da:	4.49
IP(EA), eV:	-9.67(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

Drug info:

PubChemData

Smile

CC1CC(CC(C1)(C2=CC(=C(C=C2)O)[N+](=O)[O-])C3=CC(=C(C=C3)O)[N+](=O)[O-])(C)C

DOS

IR

Vibrations