Geometry & MOs

Info

ID:	433248
PubChem CID:	135173385
Reduced:	ON8C20H22 (1)
Stoich.:	AB8C20D22 (1)
Weight, g/mol:	145.089149
ΔH_f, kcal/mol:	58.76
Dipole, Da:	2.88
IP(EA), eV:	-8.66(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7,9-dimethyl-1-azatricyclo[3.3.1.02,8]nona-2(8),3,5(9)-triene

Drug info:

PubChemData

Smile

C[C@H]1CCC2=NC3=C(N12)N=C(C=C3)C4=CN=C(N=C4)N5CCN6[C@@H](C5)CNC6=O

DOS

IR

Vibrations