Geometry & MOs

Info

ID:	438534
PubChem CID:	135228277
Reduced:	ON5H15C16 (1)
Stoich.:	AB5C15D16 (1)
Weight, g/mol:	328.143645
ΔH_f, kcal/mol:	72.71
Dipole, Da:	5.32
IP(EA), eV:	-9.4(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-9-(5-methylpyridin-2-yl)-2,3,4,10,12-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(17),3,5,8,10,13,15-heptaene

Drug info:

PubChemData

Smile

CC1=C2CC(C3=CC=CC=C3N4C=NC(=C4C2)C(=O)N)N=N1

DOS

IR

Vibrations