Geometry & MOs

Info

ID:	79763
PubChem CID:	49830283
Reduced:	O2N4C21H22 (1)
Stoich.:	A2B4C21D22 (1)
Weight, g/mol:	245.046823
ΔH_f, kcal/mol:	-4.3
Dipole, Da:	1.97
IP(EA), eV:	-8.85(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine

Drug info:

PubChemData

Smile

C1CN(CC=C1C2=CNC3=C2C=CC=N3)C(=O)NC(CO)C4=CC=CC=C4

DOS

IR

Vibrations