Geometry & MOs

Info

ID:	442616
PubChem CID:	135253402
Reduced:	ClN2O3H9C10 (1)
Stoich.:	AB2C3D9E10 (1)
Weight, g/mol:	194.061076
ΔH_f, kcal/mol:	-76.65
Dipole, Da:	1.09
IP(EA), eV:	-8.89(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-1,3,5-trimethylpyrrolo[2,3-b]pyridine

Drug info:

PubChemData

Smile

CN1C=C(C2=C(C(=CN=C21)OC=O)Cl)CO

DOS

IR

Vibrations