Geometry & MOs

Info

ID:	444292
PubChem CID:	135261970
Reduced:	O3N4C21H30 (1)
Stoich.:	A3B4C21D30 (1)
Weight, g/mol:	341.160263
ΔH_f, kcal/mol:	-75.9
Dipole, Da:	6.9
IP(EA), eV:	-8.25(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

spiro[11-azatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene-4,1'-cyclobutane];2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)N2CCN(CC2)CC3COC4=CC=CC=C4O3)C(C)(C)O

DOS

IR

Vibrations