Geometry & MOs

Info

ID:	407536
PubChem CID:	135080283
Reduced:	OS2C8H16 (1)
Stoich.:	AB2C8D16 (1)
Weight, g/mol:	222.115698
ΔH_f, kcal/mol:	-48.57
Dipole, Da:	4.71
IP(EA), eV:	-8.22(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-5-phenyl-1H-pyrrolo[2,3-b]pyridine

Drug info:

PubChemData

Smile

CC(C)C[C@@H]1SCCC[S@@]1=O

DOS

IR

Vibrations