Geometry & MOs

Info

ID:	1332
PubChem CID:	4184
Reduced:	NC9H10 (2)
Stoich.:	AB9C10 (2)
Weight, g/mol:	264.162649
ΔH_f, kcal/mol:	56.47
Dipole, Da:	1.54
IP(EA), eV:	-7.93(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaene

Drug info:

PubChemData

Smile

CN1CCN2C(C1)C3=CC=CC=C3CC4=CC=CC=C42

DOS

IR

Vibrations