Geometry & MOs

Info

ID:	22078
PubChem CID:	595950
Reduced:	O3N6C17H20 (1)
Stoich.:	A3B6C17D20 (1)
Weight, g/mol:	356.159689
ΔH_f, kcal/mol:	20.53
Dipole, Da:	2.66
IP(EA), eV:	-8.58(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-tert-butyl-8-[(2,4-dimethoxyphenyl)methylideneamino]-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one

Drug info:

PubChemData

Smile

CC(C)(C)C1=NN2C=NN=C2N(C1=O)N=CC3=C(C=C(C=C3)OC)OC

DOS

IR

Vibrations