Geometry & MOs

Info

ID:	342118
PubChem CID:	127264831
Reduced:	N5H17C20 (1)
Stoich.:	A5B17C20 (1)
Weight, g/mol:	333.104817
ΔH_f, kcal/mol:	148.37
Dipole, Da:	4.92
IP(EA), eV:	-8.68(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-2-[2-[1-(pyridin-3-ylmethyl)triazol-4-yl]ethenyl]-1,3-benzothiazole

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N=C(C=C2)C=CC3=CN(N=N3)CC4=CN=CC=C4

DOS

IR

Vibrations