Geometry & MOs

Info

ID:	22296
PubChem CID:	596552
Reduced:	ON5C6H7 (1)
Stoich.:	AB5C6D7 (1)
Weight, g/mol:	165.06506
ΔH_f, kcal/mol:	52.08
Dipole, Da:	4.55
IP(EA), eV:	-9.34(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,8-dimethyl-[1,2,4]triazolo[3,4-c][1,2,4]triazin-5-one

Drug info:

PubChemData

Smile

CC1=NN(C2=NN=CN2C1=O)C

DOS

IR

Vibrations