Geometry & MOs

Info

ID:	13711
PubChem CID:	397103
Reduced:	ON3C13H13 (1)
Stoich.:	AB3C13D13 (1)
Weight, g/mol:	227.105862
ΔH_f, kcal/mol:	9.37
Dipole, Da:	5.27
IP(EA), eV:	-8.8(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(9R)-11-amino-9-methyl-8-oxa-10-azatricyclo[7.3.1.02,7]trideca-2,4,6,11-tetraene-12-carbonitrile

Drug info:

PubChemData

Smile

C[C@]12CC(C3=CC=CC=C3O1)C(=C(N2)N)C#N

DOS

IR

Vibrations