Geometry & MOs

Info

ID:	403972
PubChem CID:	135063702
Reduced:	FNSO4C10H10 (1)
Stoich.:	ABCD4E10F10 (1)
Weight, g/mol:	213.126598
ΔH_f, kcal/mol:	-184.29
Dipole, Da:	4.69
IP(EA), eV:	-9.57(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bicyclo[2.2.1]heptanyl)benzotriazole

Drug info:

PubChemData

Smile

CC(=O)C[C@H]1C2=C(C=CC(=C2)F)OS(=O)(=O)N1

DOS

IR

Vibrations