Geometry & MOs

Info

ID:	326190
PubChem CID:	126687034
Reduced:	ClON6C18H21 (1)
Stoich.:	ABC6D18E21 (1)
Weight, g/mol:	318.0796
ΔH_f, kcal/mol:	16.58
Dipole, Da:	4.46
IP(EA), eV:	-8.8(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(azetidin-3-yl)-2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-amine

Drug info:

PubChemData

Smile

CC(N1CCCC(C1)NC2=NC(=NC=C2)C3=CNC4=C3C=C(C=N4)Cl)O

DOS

IR

Vibrations