Geometry & MOs

Info

ID:	411415
PubChem CID:	135084238
Reduced:	O3C12H16 (1)
Stoich.:	A3B12C16 (1)
Weight, g/mol:	166.029776
ΔH_f, kcal/mol:	-100.57
Dipole, Da:	1.18
IP(EA), eV:	-8.87(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-5-methyl-1H-pyrrolo[2,3-b]pyridine

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)CC(C=C)O)OC

DOS

IR

Vibrations