Geometry & MOs

Info

ID:	398052
PubChem CID:	135031530
Reduced:	OSCl2N4H12C16 (1)
Stoich.:	ABC2D4E12F16 (1)
Weight, g/mol:	279.056325
ΔH_f, kcal/mol:	62.24
Dipole, Da:	3.36
IP(EA), eV:	-9.0(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

13-chloro-8-phenyl-1,3,12-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaene

Drug info:

PubChemData

Smile

CSC1=NC=CC(=N1)C(C2=CC=CC=C2)(C3=C(N=CN=C3Cl)Cl)O

DOS

IR

Vibrations