Geometry & MOs

Info

ID:	321825
PubChem CID:	126667026
Reduced:	NOF4C11H13 (1)
Stoich.:	ABC4D11E13 (1)
Weight, g/mol:	404.140845
ΔH_f, kcal/mol:	-232.09
Dipole, Da:	3.01
IP(EA), eV:	-9.19(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1[C@@H](CN[C@H]1C2CC(=CC=C2OC(F)F)F)F

DOS

IR

Vibrations