Geometry & MOs

Info

ID:	227904
PubChem CID:	87562945
Reduced:	ClN5H16C17 (1)
Stoich.:	AB5C16D17 (1)
Weight, g/mol:	310.098524
ΔH_f, kcal/mol:	105.58
Dipole, Da:	6.66
IP(EA), eV:	-8.68(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dibenzyl-6-chloro-1,2,4-triazin-5-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNC2=C(N=NC(=N2)NCC3=CC=CC=C3)Cl

DOS

IR

Vibrations