Geometry & MOs

Info

ID:	387503
PubChem CID:	134985610
Reduced:	NO5C26H29 (1)
Stoich.:	AB5C26D29 (1)
Weight, g/mol:	212.054555
ΔH_f, kcal/mol:	-94.35
Dipole, Da:	5.04
IP(EA), eV:	-9.16(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,5R,6S)-2,3,5,6-tetranitrosobicyclo[2.2.1]heptane

Drug info:

PubChemData

Smile

C=CCC1C(C=[N+](OC1O[C@@H]2CCCC[C@H]2C3=CC=CC=C3)[O-])OC(=O)C4=CC=CC=C4

DOS

IR

Vibrations