Geometry & MOs

Info

ID:	165751
PubChem CID:	74592298
Reduced:	ON4C30H38 (1)
Stoich.:	AB4C30D38 (1)
Weight, g/mol:	356.105545
ΔH_f, kcal/mol:	6.25
Dipole, Da:	1.51
IP(EA), eV:	-8.75(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-oxo-2-phenyl-1,2,3,3a-tetrahydropyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-(1,3-thiazol-2-yl)acetamide

Drug info:

PubChemData

Smile

CCNC(=O)C1CC(CN1CC2=CC3=CC=CC=C3C=C2)NC4CCN(CC4)CC5=CC=CC=C5

DOS

IR

Vibrations