Geometry & MOs

Info

ID:	161537
PubChem CID:	57391926
Reduced:	ON4C15H18 (1)
Stoich.:	AB4C15D18 (1)
Weight, g/mol:	329.196408
ΔH_f, kcal/mol:	8.89
Dipole, Da:	1.49
IP(EA), eV:	-8.96(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-ethyl-2-N-(2-methoxyphenyl)-6-piperazin-1-yl-1,3,5-triazine-2,4-diamine

Drug info:

PubChemData

Smile

CN1C[C@@H]2CN(C[C@@H]2C1)C(=O)C3=NC4=CC=CC=C4N3

DOS

IR

Vibrations