Geometry & MOs

Info

ID:	182409
PubChem CID:	76886949
Reduced:	ON4C15H24 (1)
Stoich.:	AB4C15D24 (1)
Weight, g/mol:	251.125649
ΔH_f, kcal/mol:	-3.29
Dipole, Da:	3.58
IP(EA), eV:	-7.9(0.08)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

6-(4-amino-3,5-dimethylpyrazol-1-yl)-2,4-dimethyl-6H-1,2,4-triazin-2-ium-3,5-dione

Drug info:

PubChemData

Smile

CC(C1CCNN1)NC2=CC=C(C=C2)N3CCOCC3

DOS

IR

Vibrations