Geometry & MOs

Info

ID:	422192
PubChem CID:	135117368
Reduced:	FN2O3C18H25 (1)
Stoich.:	AB2C3D18E25 (1)
Weight, g/mol:	340.164774
ΔH_f, kcal/mol:	-155.88
Dipole, Da:	2.71
IP(EA), eV:	-9.11(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)C(=O)C3=C(C(=CC=C3)F)OC)CO

DOS

IR

Vibrations