Geometry & MOs

Info

ID:	144780
PubChem CID:	53412573
Reduced:	BrN2H7C8 (1)
Stoich.:	AB2C7D8 (1)
Weight, g/mol:	166.029776
ΔH_f, kcal/mol:	45.35
Dipole, Da:	0.41
IP(EA), eV:	-8.93(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-7-methyl-1H-pyrrolo[3,2-b]pyridine

Drug info:

PubChemData

Smile

CC1=CC2=C(NC=C2Br)N=C1

DOS

IR

Vibrations