Geometry & MOs

Info

ID:	229550
PubChem CID:	87567998
Reduced:	BO2F4N4C12H25 (1)
Stoich.:	AB2C4D4E12F25 (1)
Weight, g/mol:	365.054478
ΔH_f, kcal/mol:	-333.66
Dipole, Da:	25.51
IP(EA), eV:	-9.99(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-nitro-4-(2,4,5-trifluorophenyl)cyclohexen-1-yl]methyl methanesulfonate

Drug info:

PubChemData

Smile

[B-](F)(F)(F)F.CON1CN(CN(C1)OC)[N+]23CCC(CC2)CC3

DOS

IR

Vibrations