Geometry & MOs

Info

ID:	285018
PubChem CID:	104090870
Reduced:	NOC11H11 (1)
Stoich.:	ABC11D11 (1)
Weight, g/mol:	254.02652
ΔH_f, kcal/mol:	42.73
Dipole, Da:	2.47
IP(EA), eV:	-10.29(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,4-dichlorophenyl)hept-6-yn-2-one

Drug info:

PubChemData

Smile

C#CCCCC(=O)C1=CC=NC=C1

DOS

IR

Vibrations