Geometry & MOs

Info

ID:	389675
PubChem CID:	134994410
Reduced:	NO2C9H17 (1)
Stoich.:	AB2C9D17 (1)
Weight, g/mol:	153.078979
ΔH_f, kcal/mol:	-48.44
Dipole, Da:	4.34
IP(EA), eV:	-10.81(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,4R)-5-methyl-6-nitrobicyclo[2.2.1]hept-2-ene

Drug info:

PubChemData

Smile

C[C@H](C[N+](=O)[O-])C1CCCCC1

DOS

IR

Vibrations