Geometry & MOs

Info

ID:	85238
PubChem CID:	49872773
Reduced:	ON5C17H17 (1)
Stoich.:	AB5C17D17 (1)
Weight, g/mol:	552.72967
ΔH_f, kcal/mol:	76.51
Dipole, Da:	1.65
IP(EA), eV:	-9.47(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-imino-2-(2,2,2-tribromoethyl)-6-(2,3,5-trichlorophenyl)-1,2,4-triazin-5-amine

Drug info:

PubChemData

Smile

CCC(=O)N(CC1=CC=CC=C1)C2=CC=CC(=C2)C3=NNN=N3

DOS

IR

Vibrations