Geometry & MOs

Info

ID:	121936
PubChem CID:	50786780
Reduced:	SO2N4H18C20 (1)
Stoich.:	AB2C4D18E20 (1)
Weight, g/mol:	374.141262
ΔH_f, kcal/mol:	41.06
Dipole, Da:	3.96
IP(EA), eV:	-8.86(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dimethoxyphenyl)-7-(3-methylbutylsulfanyl)-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NN3C(=C2)C(=O)NN=C3SCC4=CC(=CC=C4)OC

DOS

IR

Vibrations