Geometry & MOs

Info

ID:	24610
PubChem CID:	611308
Reduced:	NO3C15H17 (1)
Stoich.:	AB3C15D17 (1)
Weight, g/mol:	259.120843
ΔH_f, kcal/mol:	-39.87
Dipole, Da:	3.92
IP(EA), eV:	-9.73(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-nitro-2-phenylbicyclo[3.3.1]nonan-9-one

Drug info:

PubChemData

Smile

C1CC2CC(C(C(C1)C2=O)C3=CC=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations