Geometry & MOs

Info

ID:	397872
PubChem CID:	135030869
Reduced:	NO2C6H9 (1)
Stoich.:	AB2C6D9 (1)
Weight, g/mol:	547.800243
ΔH_f, kcal/mol:	-55.69
Dipole, Da:	1.97
IP(EA), eV:	-9.27(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,3R,5R,7S,10S,11S)-11-methyl-10-(1,2,2-trichloroethenoxy)-3,5-bis(trichloromethyl)-2,4-dioxatricyclo[5.3.1.03,11]undecane

Drug info:

PubChemData

Smile

CC(C)C1=C(OC=N1)O

DOS

IR

Vibrations