Geometry & MOs

Info

ID:	26667
PubChem CID:	794516
Reduced:	OSN2C20H22 (1)
Stoich.:	ABC2D20E22 (1)
Weight, g/mol:	273.061037
ΔH_f, kcal/mol:	4.33
Dipole, Da:	9.13
IP(EA), eV:	-8.72(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-nitro-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1C(=C(NC2=C1C(=O)CC(C2)(C)C)SCC3=CC=CC=C3)C#N

DOS

IR

Vibrations