Geometry & MOs

Info

ID:	227727
PubChem CID:	87562321
Reduced:	ClON4H11C14 (1)
Stoich.:	ABC4D11E14 (1)
Weight, g/mol:	272.082874
ΔH_f, kcal/mol:	34.9
Dipole, Da:	4.53
IP(EA), eV:	-9.04(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(6-chloro-1-methylpyrrolo[2,3-b]pyridin-2-yl)pyridin-3-yl]methanamine

Drug info:

PubChemData

Smile

CN1C(=CC2=C1N=C(C=C2)Cl)C3=CC(=CN=C3)C(=O)N

DOS

IR

Vibrations