Geometry & MOs

Info

ID:	127925
PubChem CID:	51023177
Reduced:	NO4C8H11 (1)
Stoich.:	AB4C8D11 (1)
Weight, g/mol:	286.095357
ΔH_f, kcal/mol:	-165.74
Dipole, Da:	6.57
IP(EA), eV:	-10.74(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,4S)-5-nitro-5-[1-(4-nitrophenyl)ethenyl]bicyclo[2.2.1]hept-2-ene

Drug info:

PubChemData

Smile

C1C[C@]2([C@H](C[C@H]1N2)C(=O)O)C(=O)O

DOS

IR

Vibrations