Geometry & MOs

Info

ID:	361411
PubChem CID:	127303309
Reduced:	O2N5C17H19 (1)
Stoich.:	A2B5C17D19 (1)
Weight, g/mol:	295.14331
ΔH_f, kcal/mol:	-31.21
Dipole, Da:	5.72
IP(EA), eV:	-8.93(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2,3-dihydro-1H-inden-1-ylmethylamino)-1-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CN1C2=C(N=C1NCC3CCC4=CC=CC=C34)N(C(=O)NC2=O)C

DOS

IR

Vibrations