Geometry & MOs

Info

ID:	10185
PubChem CID:	98700
Reduced:	NOC13H15 (1)
Stoich.:	ABC13D15 (1)
Weight, g/mol:	201.115364
ΔH_f, kcal/mol:	-20.51
Dipole, Da:	6.68
IP(EA), eV:	-8.01(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-carbaldehyde

Drug info:

PubChemData

Smile

C1CC2=CC(=CC3=C2N(C1)CCC3)C=O

DOS

IR

Vibrations