Geometry & MOs

Info

ID:	436482
PubChem CID:	135203745
Reduced:	NOH6C10 (2)
Stoich.:	ABC6D10 (2)
Weight, g/mol:	245.046823
ΔH_f, kcal/mol:	77.5
Dipole, Da:	2.65
IP(EA), eV:	-7.96(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-chloropyrrolo[3,2-b]pyridin-1-yl)pyrimidin-2-amine

Drug info:

PubChemData

Smile

C1=CC2=CC=C(N2C=C1)C3=C(C(=O)C3=O)C4=CC=C5N4C=CC=C5

DOS

IR

Vibrations