Geometry & MOs

Info

ID:	127917
PubChem CID:	51022979
Reduced:	NO3H15C19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	464.884059
ΔH_f, kcal/mol:	-2.59
Dipole, Da:	1.97
IP(EA), eV:	-9.32(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,4S,5S)-1,2,3,4,7,7-hexachloro-5-[(1R)-1-(4-nitrophenoxy)ethyl]bicyclo[2.2.1]hept-2-ene

Drug info:

PubChemData

Smile

C1[C@H]2C=C[C@@H]1[C@]3([C@H]2C4=CC=CO4)C(=O)OC(=N3)C5=CC=CC=C5

DOS

IR

Vibrations