Geometry & MOs

Info

ID:	318588
PubChem CID:	126652128
Reduced:	Cl2O2N5C29H39 (1)
Stoich.:	A2B2C5D29E39 (1)
Weight, g/mol:	422.101505
ΔH_f, kcal/mol:	-63.91
Dipole, Da:	1.49
IP(EA), eV:	-8.86(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,13-dipyridin-4-yl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),9-tetraene-5,7,12,14-tetrone

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H](C2=NC=CC(=C12)N3CCN(CC3)C(=O)[C@H](CN4CCN(CC4)C(C)C)C5=CC(=C(C=C5)Cl)Cl)O

DOS

IR

Vibrations