Geometry & MOs

Info

ID:	227903
PubChem CID:	87562942
Reduced:	O3N4H30C31 (1)
Stoich.:	A3B4C30D31 (1)
Weight, g/mol:	325.109423
ΔH_f, kcal/mol:	62.79
Dipole, Da:	4.43
IP(EA), eV:	-8.8(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-N,5-N-dibenzyl-6-chloro-1,2,4-triazine-3,5-diamine

Drug info:

PubChemData

Smile

CN(C)C1=C(C=C2C=CN=CC2=C1C(=O)NO)C3=CC=C(C=C3)C#CC4=CC=C(C=C4)CN5CCOCC5

DOS

IR

Vibrations