Geometry & MOs

Info

ID:	429312
PubChem CID:	135169281
Reduced:	N2C13H14 (2)
Stoich.:	A2B13C14 (2)
Weight, g/mol:	493.01097
ΔH_f, kcal/mol:	109.4
Dipole, Da:	1.81
IP(EA), eV:	-8.72(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(8-methyl-4-phenylquinolin-6-yl)pyrrolo[2,3-b]pyridin-1-yl] thiohypoiodite

Drug info:

PubChemData

Smile

CCCNC(C/C=C\C=C)CC1=C2C=C(C=CC2=NC=C1)C3=CNC4=C3C=CC=N4

DOS

IR

Vibrations