Geometry & MOs

Info

ID:	189778
PubChem CID:	77903576
Reduced:	NO2C21H35 (1)
Stoich.:	AB2C21D35 (1)
Weight, g/mol:	262.134423
ΔH_f, kcal/mol:	-146.07
Dipole, Da:	4.29
IP(EA), eV:	-9.23(0.7)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

6-benzyl-1-(4-methylphenyl)triazin-1-ium

Drug info:

PubChemData

Smile

CC(=O)C1CCC2C1(CCC3C2CCC4C3(CC(C(C4)N)O)C)C

DOS

IR

Vibrations