Geometry & MOs

Info

ID:	126356
PubChem CID:	50961766
Reduced:	N3H8C9 (2)
Stoich.:	A3B8C9 (2)
Weight, g/mol:	298.088832
ΔH_f, kcal/mol:	148.34
Dipole, Da:	2.31
IP(EA), eV:	-8.95(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(pyridin-4-ylmethyl)-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one

Drug info:

PubChemData

Smile

C1CC1C2=NN(C(=N2)CC3=NC4=CC=CC=C4N3)C5=CC=CC=N5

DOS

IR

Vibrations