Geometry & MOs

Info

ID:	367906
PubChem CID:	127326079
Reduced:	ON5C19H25 (1)
Stoich.:	AB5C19D25 (1)
Weight, g/mol:	362.221895
ΔH_f, kcal/mol:	20.62
Dipole, Da:	5.76
IP(EA), eV:	-8.92(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(2,3-dihydro-1H-inden-5-ylmethyl)piperazin-1-yl]-1,6-dimethylpyrazolo[3,4-d]pyrimidine

Drug info:

PubChemData

Smile

CC(C)C1=NN=C2N1CCN(C2)C3CCCN(C3=O)C4=CC=CC=C4

DOS

IR

Vibrations