Geometry & MOs

Info

ID:	11473
PubChem CID:	115999
Reduced:	ClN7C19H40 (1)
Stoich.:	AB7C19D40 (1)
Weight, g/mol:	401.303372
ΔH_f, kcal/mol:	56.44
Dipole, Da:	21.42
IP(EA), eV:	-7.84(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

2-[[4-chloro-6-[2-(triethylazaniumyl)ethylamino]-1,3,5-triazin-2-yl]amino]ethyl-triethylazanium

Drug info:

PubChemData

Smile

CC[N+](CC)(CC)CCNC1=NC(=NC(=N1)Cl)NCC[N+](CC)(CC)CC

DOS

IR

Vibrations