Geometry & MOs

Info

ID:	6538
PubChem CID:	68832
Reduced:	Cl2N5H9C15 (1)
Stoich.:	A2B5C9D15 (1)
Weight, g/mol:	329.023501
ΔH_f, kcal/mol:	129.18
Dipole, Da:	5.67
IP(EA), eV:	-9.76(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-chloro-9-(2-chlorophenyl)-2,4,5,8,11-pentazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,8,11,13-hexaene

Drug info:

PubChemData

Smile

C1C2=NN=CN2C3=C(C(=N1)C4=CC=CC=C4Cl)N=C(C=C3)Cl

DOS

IR

Vibrations