Geometry & MOs

Info

ID:	145959
PubChem CID:	53618257
Reduced:	N2O2C13H13 (2)
Stoich.:	A2B2C13D13 (2)
Weight, g/mol:	311.185844
ΔH_f, kcal/mol:	-59.24
Dipole, Da:	5.14
IP(EA), eV:	-8.08(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-1-methylpyrazolo[3,4-d]pyrimidine

Drug info:

PubChemData

Smile

C1COCCN1CCN2C=CC3=C2C=CC(=C3)NC(=O)C4=CC(=CC=C4)NC(=O)C5=CC=CO5

DOS

IR

Vibrations