Geometry & MOs

Info

ID:	210506
PubChem CID:	80816135
Reduced:	ON6C14H26 (1)
Stoich.:	AB6C14D26 (1)
Weight, g/mol:	289.176342
ΔH_f, kcal/mol:	-17.57
Dipole, Da:	2.84
IP(EA), eV:	-8.43(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-ethyl-4-methylpiperazin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine

Drug info:

PubChemData

Smile

CCC1CN(CCN1C)C2=NC(=NC(=N2)NCC)OCC

DOS

IR

Vibrations