Geometry & MOs

Info

ID:	372942
PubChem CID:	131307276
Reduced:	BrON4H9C10 (1)
Stoich.:	ABC4D9E10 (1)
Weight, g/mol:	235.99491
ΔH_f, kcal/mol:	25.18
Dipole, Da:	3.4
IP(EA), eV:	-9.24(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carbonitrile

Drug info:

PubChemData

Smile

C1=CNC(=O)C=C1CNC2=NC=C(C=N2)Br

DOS

IR

Vibrations