Geometry & MOs

Info

ID:	326297
PubChem CID:	126687293
Reduced:	FON2C21H25 (1)
Stoich.:	ABC2D21E25 (1)
Weight, g/mol:	375.101064
ΔH_f, kcal/mol:	-46.65
Dipole, Da:	0.96
IP(EA), eV:	-8.85(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-5-amino-5-[[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]methyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

C1[C@@H]2CN(C[C@@H]2CN1CCC3=CC(=C(C=C3)O)F)CC4=CC=CC=C4

DOS

IR

Vibrations