Geometry & MOs

Info

ID:	429849
PubChem CID:	135169902
Reduced:	F2O2N3C15H17 (1)
Stoich.:	A2B2C3D15E17 (1)
Weight, g/mol:	515.06406
ΔH_f, kcal/mol:	-116.25
Dipole, Da:	1.61
IP(EA), eV:	-8.15(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[4-[(1-methylpiperidin-4-yl)amino]quinolin-6-yl]pyrrolo[2,3-b]pyridin-1-yl] thiohypoiodite

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=C1)C2=CC=CC(=C)N2C)C(C)(F)F

DOS

IR

Vibrations