Geometry & MOs

Info

ID:	285019
PubChem CID:	104090880
Reduced:	OCl2H12C13 (1)
Stoich.:	AB2C12D13 (1)
Weight, g/mol:	266.070972
ΔH_f, kcal/mol:	-7.95
Dipole, Da:	2.97
IP(EA), eV:	-9.58(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chloro-4,5-dimethoxyphenyl)hex-5-yn-1-one

Drug info:

PubChemData

Smile

C#CCCCC(=O)CC1=C(C=C(C=C1)Cl)Cl

DOS

IR

Vibrations