Geometry & MOs

Info

ID:	321800
PubChem CID:	126666996
Reduced:	O2F3N6H17C18 (1)
Stoich.:	A2B3C6D17E18 (1)
Weight, g/mol:	416.17723
ΔH_f, kcal/mol:	-128.0
Dipole, Da:	6.78
IP(EA), eV:	-9.0(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,5-difluorophenyl)methyl]-N-ethyl-4-[[(1R,2R)-2-hydroxycyclopentyl]amino]-2H-pyrazolo[3,4-d]pyrimidine-3-carboxamide

Drug info:

PubChemData

Smile

C1C[C@@H]([C@@H]([C@H]1NC2=NC=NC3=NNC(=C32)C(=O)NCC4=C(C=CC(=C4)F)F)O)F

DOS

IR

Vibrations