Geometry & MOs

Info

ID:	233512
PubChem CID:	91145132
Reduced:	NC2H2O2 (2)
Stoich.:	AB2C2D2 (2)
Weight, g/mol:	532.222289
ΔH_f, kcal/mol:	-17.66
Dipole, Da:	1.2
IP(EA), eV:	-9.72(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-amino-5-[1-(2-hydroxy-2-phenylacetyl)piperidin-4-yl]-3-(6-phenylpyridin-3-yl)pyrazolo[1,5-a]pyrimidine-6-carbaldehyde

Drug info:

PubChemData

Smile

C=COO.C(=NN=C=O)=O

DOS

IR

Vibrations