Geometry & MOs

Info

ID:	444295
PubChem CID:	135261973
Reduced:	NO2F4C19H23 (1)
Stoich.:	AB2C4D19E23 (1)
Weight, g/mol:	335.089991
ΔH_f, kcal/mol:	-189.47
Dipole, Da:	8.02
IP(EA), eV:	-6.83(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-11-azatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

CC1(CC2CCNCC3=C2C(=C(C=C3)F)C14CC4)C.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations