Geometry & MOs

Info

ID:	234305
PubChem CID:	92298139
Reduced:	NO2F4H5C11 (1)
Stoich.:	AB2C4D5E11 (1)
Weight, g/mol:	307.854618
ΔH_f, kcal/mol:	-216.26
Dipole, Da:	3.53
IP(EA), eV:	-10.8(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5S)-1,3,5,6,7-pentachloro-4-methoxybicyclo[3.2.0]hepta-3,6-dien-2-one

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(F)(F)F)/C=C(/C#N)\C(=O)O)F

DOS

IR

Vibrations