Geometry & MOs

Info

ID:	341270
PubChem CID:	127263705
Reduced:	N2O3C17H20 (1)
Stoich.:	A2B3C17D20 (1)
Weight, g/mol:	205.09636
ΔH_f, kcal/mol:	-93.45
Dipole, Da:	3.64
IP(EA), eV:	-9.03(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidine-3-carbaldehyde

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C2=CC(=O)N(C=N2)C3CCCCC3O

DOS

IR

Vibrations