Geometry & MOs

Info

ID:	446960
PubChem CID:	135279116
Reduced:	NS2O3C6H13 (1)
Stoich.:	AB2C3D6E13 (1)
Weight, g/mol:	338.145285
ΔH_f, kcal/mol:	-94.64
Dipole, Da:	3.52
IP(EA), eV:	-9.29(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(cyclopropylmethoxy)-5-ethylsulfanylphenyl]-6-methyl-1H-pyrrolo[2,3-b]pyridine

Drug info:

PubChemData

Smile

CC(=O)COCCCONSS

DOS

IR

Vibrations