Geometry & MOs

Info

ID:	441786
PubChem CID:	135244574
Reduced:	FON7C21H26 (1)
Stoich.:	ABC7D21E26 (1)
Weight, g/mol:	335.058531
ΔH_f, kcal/mol:	-27.18
Dipole, Da:	6.59
IP(EA), eV:	-8.68(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]propanoic acid

Drug info:

PubChemData

Smile

CCCNC(=O)NC1CCCC[C@H]1NC2=NC(=NC=C2F)C3=CNC4=C3C=CC=N4

DOS

IR

Vibrations