Geometry & MOs

Info

ID:	423875
PubChem CID:	135120566
Reduced:	N2O4C19H24 (1)
Stoich.:	A2B4C19D24 (1)
Weight, g/mol:	343.175673
ΔH_f, kcal/mol:	-137.68
Dipole, Da:	7.97
IP(EA), eV:	-9.46(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methyl]-1-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1C[C@]2(COCC[C@@H]2N(C1)C(=O)C3=CC=CC(=O)N3)C4=CCOCC4

DOS

IR

Vibrations