Geometry & MOs

Info

ID:	229765
PubChem CID:	87568856
Reduced:	NSC12O14H27 (1)
Stoich.:	ABC12D14E27 (1)
Weight, g/mol:	271.128118
ΔH_f, kcal/mol:	-619.19
Dipole, Da:	3.86
IP(EA), eV:	-10.09(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

bicyclo[2.2.1]hepta-2,5-diene;tetrafluoroborate

Drug info:

PubChemData

Smile

C([C@H]([C@H]([C@@H]([C@@H](COS(=O)(=O)O)O)O)O)O)O.C([C@H]([C@H]([C@@H]([C@H](C=O)N)O)O)O)O

DOS

IR

Vibrations