Geometry & MOs

Info

ID:	81818
PubChem CID:	49855205
Reduced:	ClON6C19H21 (1)
Stoich.:	ABC6D19E21 (1)
Weight, g/mol:	370.130887
ΔH_f, kcal/mol:	24.43
Dipole, Da:	5.24
IP(EA), eV:	-9.02(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(azetidin-1-yl)-2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-2-methylpropan-1-one

Drug info:

PubChemData

Smile

CC(C)(C(=O)N1CCCC1)NC2=NC(=NC=C2)C3=CNC4=C3C=C(C=N4)Cl

DOS

IR

Vibrations