Geometry & MOs

Info

ID:	79767
PubChem CID:	49830292
Reduced:	BrN2H9C13 (1)
Stoich.:	AB2C9D13 (1)
Weight, g/mol:	287.093773
ΔH_f, kcal/mol:	77.11
Dipole, Da:	2.76
IP(EA), eV:	-8.89(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[6-chloro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-yl]ethane-1,2-diamine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CNC3=C2C=C(C=N3)Br

DOS

IR

Vibrations