Geometry & MOs

Info

ID:	321809
PubChem CID:	126667006
Reduced:	F2O3N6C19H24 (1)
Stoich.:	A2B3C6D19E24 (1)
Weight, g/mol:	392.17723
ΔH_f, kcal/mol:	-147.47
Dipole, Da:	6.02
IP(EA), eV:	-9.26(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CC1CC(=CC=C1F)F)C(=O)C2C3=C(NN2)N=CN=C3N[C@@H]4CC[C@H]([C@H]4O)O

DOS

IR

Vibrations