Geometry & MOs

Info

ID:	222347
PubChem CID:	85297137
Reduced:	BrO5C18H21 (1)
Stoich.:	AB5C18D21 (1)
Weight, g/mol:	397.024321
ΔH_f, kcal/mol:	-185.31
Dipole, Da:	1.7
IP(EA), eV:	-8.89(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3,4,5,6-tetrafluoro-12-nitro-8-tricyclo[7.2.1.02,7]dodeca-2(7),3,5,10-tetraenyl) sulfate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2OC3C4CCC(C3O2)(C5(C4)OCCO5)Br

DOS

IR

Vibrations