Geometry & MOs

Info

ID:	446938
PubChem CID:	135278986
Reduced:	IN3O4C13H16 (1)
Stoich.:	AB3C4D13E16 (1)
Weight, g/mol:	301.101074
ΔH_f, kcal/mol:	-168.42
Dipole, Da:	4.43
IP(EA), eV:	-9.12(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(7-methoxy-6-methyl-1H-pyrrolo[2,3-b]pyridin-7-ium-4-yl)-4-methylsulfanylphenol

Drug info:

PubChemData

Smile

C1CC(=O)NC(=O)C1N2C(=O)CC3(C2=O)CCN(CC3)I

DOS

IR

Vibrations