Geometry & MOs

Info

ID:	19943
PubChem CID:	575552
Reduced:	NO2C11H11 (1)
Stoich.:	AB2C11D11 (1)
Weight, g/mol:	189.078979
ΔH_f, kcal/mol:	21.49
Dipole, Da:	6.58
IP(EA), eV:	-10.02(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-nitrotricyclo[6.2.1.02,7]undeca-2(7),3,5-triene

Drug info:

PubChemData

Smile

C1CC2CC1C3=C2C=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations