Geometry & MOs

Info

ID:	389946
PubChem CID:	134996155
Reduced:	BN3C10H22 (1)
Stoich.:	AB3C10D22 (1)
Weight, g/mol:	196.045506
ΔH_f, kcal/mol:	-49.2
Dipole, Da:	5.38
IP(EA), eV:	-8.11(1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,8R,9S,11R)-11-chloro-9-fluorotricyclo[6.2.1.02,7]undeca-2,4,6-triene

Drug info:

PubChemData

Smile

[B-]1([NH2+]C(C(C(N1)C)C#N)C)(CC)CC

DOS

IR

Vibrations