Geometry & MOs

Info

ID:	321693
PubChem CID:	126666806
Reduced:	ON6C18H18 (1)
Stoich.:	AB6C18D18 (1)
Weight, g/mol:	418.156495
ΔH_f, kcal/mol:	88.64
Dipole, Da:	3.21
IP(EA), eV:	-9.32(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COCCC1N2C(=NC3=C2C4=CC=CC=C4N=C3)CN5C=NC=N5

DOS

IR

Vibrations