Geometry & MOs

Info

ID:	127808
PubChem CID:	51016399
Reduced:	FN2O3C13H13 (1)
Stoich.:	AB2C3D13E13 (1)
Weight, g/mol:	123.104799
ΔH_f, kcal/mol:	-41.41
Dipole, Da:	8.81
IP(EA), eV:	-9.02(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5S)-3-azabicyclo[3.3.1]non-6-ene

Drug info:

PubChemData

Smile

CC1[C@H]2CN(C[C@H]1C2=O)C3=C(C=C(C=C3)[N+](=O)[O-])F

DOS

IR

Vibrations