Geometry & MOs

Info

ID:

80060

PubChem CID:

49832591

Reduced:

FCl2O3N8H31C42 (1)

Stoich.:

AB2C3D8E31F42 (1)

Weight, g/mol:

347.101839

ΔHf, kcal/mol:

59.89

Dipole, Da:

4.29

IP(EA), eV:

 -9.43(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2,7-dioxo-5-phenyl-1,4-dihydropyrazolo[1,5-a]pyrimidin-3-yl)pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C[C@]1(C(=O)N(C2=NC=C(N21)C(=O)NC3(CC3)C(=O)NC4(CC4)C5=NC=C(C=C5)C6=CC7=CC=CC=C7N=C6)C8=CC(=C(C(=C8)Cl)F)Cl)CC9=CC=C(C=C9)C#N

DOS

IR

Vibrations