Geometry & MOs

Info

ID:	21820
PubChem CID:	591696
Reduced:	NO4H9C12 (2)
Stoich.:	AB4C9D12 (2)
Weight, g/mol:	462.106316
ΔH_f, kcal/mol:	-55.15
Dipole, Da:	7.13
IP(EA), eV:	-10.22(-2.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[10-(4-nitrobenzoyl)oxy-9-tricyclo[4.2.1.12,5]deca-3,7-dienyl] 4-nitrobenzoate

Drug info:

PubChemData

Smile

C1=CC2C3C=CC(C1C2OC(=O)C4=CC=C(C=C4)[N+](=O)[O-])C3OC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

DOS

IR

Vibrations