Geometry & MOs

Info

ID:	444331
PubChem CID:	135262092
Reduced:	NC15H15 (1)
Stoich.:	AB15C15 (1)
Weight, g/mol:	299.113313
ΔH_f, kcal/mol:	57.59
Dipole, Da:	5.12
IP(EA), eV:	-9.37(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-azatricyclo[7.4.1.05,14]tetradeca-5(14),6,8-trien-10-yl 2,2,2-trifluoroacetate

Drug info:

PubChemData

Smile

C1CC2(C1)CC/C(=C\C#N)/C3=CC=CC=C23

DOS

IR

Vibrations