Geometry & MOs

Info

ID:	407514
PubChem CID:	135080259
Reduced:	SN2O2C10H16 (1)
Stoich.:	AB2C2D10E16 (1)
Weight, g/mol:	242.061076
ΔH_f, kcal/mol:	-22.43
Dipole, Da:	9.32
IP(EA), eV:	-7.84(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-3-methyl-1-phenylpyrrolo[2,3-b]pyridine

Drug info:

PubChemData

Smile

COC(C/S(=N\C1=CC=CC=N1)/C)OC

DOS

IR

Vibrations