Geometry & MOs

Info

ID:	309009
PubChem CID:	126534327
Reduced:	N7H11C17 (1)
Stoich.:	A7B11C17 (1)
Weight, g/mol:	198.090546
ΔH_f, kcal/mol:	206.05
Dipole, Da:	1.91
IP(EA), eV:	-8.61(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8-diamine

Drug info:

PubChemData

Smile

C1=CC2=N/C(=C\3/C4=C(NN3)N=CC(=C4)C5=NC=CN=C5)/C=C2N=C1

DOS

IR

Vibrations