Geometry & MOs

Info

ID:	43842
PubChem CID:	10321870
Reduced:	NO8C24H27 (1)
Stoich.:	AB8C24D27 (1)
Weight, g/mol:	457.163771
ΔH_f, kcal/mol:	-296.13
Dipole, Da:	3.43
IP(EA), eV:	-8.83(-2.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-(1,3-benzodioxol-5-yl)phenyl]-6-cyclohexyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

Drug info:

PubChemData

Smile

C[C@@H]1[C@H]([C@@H](CC(O1)C2=C(C3=C(C=C2)C(=O)C4=C(C3=O)[C@H](O[C@H]5[C@@H]4OC(=O)C5)C)O)N(C)C)O

DOS

IR

Vibrations