Geometry & MOs

Info

ID:	144779
PubChem CID:	53411907
Reduced:	ClNSO3C9H18 (1)
Stoich.:	ABCD3E9F18 (1)
Weight, g/mol:	209.97926
ΔH_f, kcal/mol:	-164.91
Dipole, Da:	4.75
IP(EA), eV:	-8.41(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(C1CCS(C1)(O)O)C(=O)C(C)Cl

DOS

IR

Vibrations