Geometry & MOs

Info

ID:	287348
PubChem CID:	104238020
Reduced:	ClO2C14H19 (1)
Stoich.:	AB2C14D19 (1)
Weight, g/mol:	236.060407
ΔH_f, kcal/mol:	-93.22
Dipole, Da:	3.28
IP(EA), eV:	-9.14(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chloro-4-pent-4-ynoxyphenyl)ethanone

Drug info:

PubChemData

Smile

CCC(CC)COC1=C(C=C(C=C1)C(=O)C)Cl

DOS

IR

Vibrations