Geometry & MOs

Info

ID:	326277
PubChem CID:	126687268
Reduced:	ON5C8H15 (1)
Stoich.:	AB5C8D15 (1)
Weight, g/mol:	421.179314
ΔH_f, kcal/mol:	17.89
Dipole, Da:	6.26
IP(EA), eV:	-9.47(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2S)-2-[amino-[2-(5-chloro-7,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]-(methylamino)methanol

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)CN2CN=NN2

DOS

IR

Vibrations