Geometry & MOs

Info

ID:	45569
PubChem CID:	10515029
Reduced:	NO2H15C16 (1)
Stoich.:	AB2C15D16 (1)
Weight, g/mol:	253.109423
ΔH_f, kcal/mol:	-9.81
Dipole, Da:	1.92
IP(EA), eV:	-8.74(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-3-(4-methylphenyl)-1,4-dihydro-1,3,5-triazin-3-ium-2,6-diamine;chloride

Drug info:

PubChemData

Smile

C1C(OC2=CC=CC=C2N1CC3=CC=CC=C3)C=O

DOS

IR

Vibrations