Geometry & MOs

Info

ID:	402820
PubChem CID:	135057418
Reduced:	BrNOH14C16 (1)
Stoich.:	ABCD14E16 (1)
Weight, g/mol:	279.125929
ΔH_f, kcal/mol:	8.85
Dipole, Da:	5.29
IP(EA), eV:	-9.65(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-acetyl-2-pyridin-2-ylphenyl)cyclopentan-1-one

Drug info:

PubChemData

Smile

C1CC(=O)CC1C2=C(C=CC(=C2)Br)C3=CC=CC=N3

DOS

IR

Vibrations