Geometry & MOs

Info

ID:	449656
PubChem CID:	135300362
Reduced:	ON5H19C24 (1)
Stoich.:	AB5C19D24 (1)
Weight, g/mol:	423.172896
ΔH_f, kcal/mol:	99.75
Dipole, Da:	8.18
IP(EA), eV:	-9.65(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butylsulfinyl-7-(1,3-dimethylpyrazol-4-yl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)C2=CC3=NC(=CN=C3C=C2)C4=CC5=C(C=C4)C(=NC=C5)C#N

DOS

IR

Vibrations