Geometry & MOs

Info

ID:	1344
PubChem CID:	4205
Reduced:	N3C17H19 (1)
Stoich.:	A3B17C19 (1)
Weight, g/mol:	265.157898
ΔH_f, kcal/mol:	63.46
Dipole, Da:	2.08
IP(EA), eV:	-8.15(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene

Drug info:

PubChemData

Smile

CN1CCN2C(C1)C3=CC=CC=C3CC4=C2N=CC=C4

DOS

IR

Vibrations