Geometry & MOs

Info

ID:	17363
PubChem CID:	494189
Reduced:	N2C7H7 (3)
Stoich.:	A2B7C7 (3)
Weight, g/mol:	357.18277
ΔH_f, kcal/mol:	145.76
Dipole, Da:	0.09
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 2.078577
Charge, e:	3

Chem-info

IUPAC name:

2,4,6-tris(1-methylpyridin-1-ium-4-yl)-1,3,5-triazine

Drug info:

PubChemData

Smile

C[N+]1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC=[N+](C=C3)C)C4=CC=[N+](C=C4)C

DOS

IR

Vibrations