Geometry & MOs

Info

ID:	321764
PubChem CID:	126666953
Reduced:	ClF2O3N6C22H23 (1)
Stoich.:	AB2C3D6E22F23 (1)
Weight, g/mol:	382.175339
ΔH_f, kcal/mol:	-146.87
Dipole, Da:	7.65
IP(EA), eV:	-9.1(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-4-[[(1R,2S,3R)-2,3-dihydroxycyclopentyl]amino]-N-methyl-2H-pyrazolo[3,4-d]pyrimidine-3-carboxamide

Drug info:

PubChemData

Smile

C1C[C@H]([C@@H]([C@@H](C1)O)O)NC2=NC=NC3=NNC(=C32)C(=O)N4C[C@H](C[C@@H]4C5=CC(=CC(=C5)Cl)F)F

DOS

IR

Vibrations