Geometry & MOs

Info

ID:	250234
PubChem CID:	103095073
Reduced:	Cl2N3H9C13 (1)
Stoich.:	A2B3C9D13 (1)
Weight, g/mol:	268.076726
ΔH_f, kcal/mol:	68.15
Dipole, Da:	3.06
IP(EA), eV:	-8.72(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

14-chloro-12,18-diazatetracyclo[9.7.0.02,7.013,18]octadeca-1(11),2,4,6,12,14,16-heptaene

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=C(N3C=CC=C(C3=N2)Cl)N)Cl

DOS

IR

Vibrations