Geometry & MOs

Info

ID:	385961
PubChem CID:	134980405
Reduced:	FOC4H5 (3)
Stoich.:	ABC4D5 (3)
Weight, g/mol:	259.120843
ΔH_f, kcal/mol:	-277.91
Dipole, Da:	5.07
IP(EA), eV:	-10.71(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,4R,5S,7R)-5-nitro-7-(phenylmethoxymethyl)bicyclo[2.2.1]hept-2-ene

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)[C@H]1[C@@H]2C=C[C@H]([C@H]1C(F)(F)F)O2

DOS

IR

Vibrations