Geometry & MOs

Info

ID:	442837
PubChem CID:	135256521
Reduced:	ClN7C33H34 (1)
Stoich.:	AB7C33D34 (1)
Weight, g/mol:	224.97893
ΔH_f, kcal/mol:	155.72
Dipole, Da:	4.87
IP(EA), eV:	-8.44(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-6,7-dihydro-5H-cyclopenta[b]pyridine-2-carbaldehyde

Drug info:

PubChemData

Smile

CC1CCCC(C2=NC3=C(CCCC3)C(=C2)C4=C(C=NN4C)NC1=C)N5C=NC(=CC5=C)C6=C(C=CC(=C6)Cl)C#N

DOS

IR

Vibrations