Geometry & MOs

Info

ID:	174631
PubChem CID:	75798492
Reduced:	O2N5C13H25 (1)
Stoich.:	A2B5C13D25 (1)
Weight, g/mol:	282.193
ΔH_f, kcal/mol:	-23.11
Dipole, Da:	19.07
IP(EA), eV:	-6.13(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2,4-diethyl-6-(4-ethylpiperazin-1-yl)-6H-1,2,4-triazin-2-ium-3,5-dione

Drug info:

PubChemData

Smile

CC[NH+]1CCN(CC1)C2C(=O)N(C(=O)[N+](=N2)CC)CC

DOS

IR

Vibrations