Geometry & MOs

Info

ID:	22139
PubChem CID:	596077
Reduced:	ClOH7C10 (1)
Stoich.:	ABC7D10 (1)
Weight, g/mol:	178.018542
ΔH_f, kcal/mol:	27.02
Dipole, Da:	3.2
IP(EA), eV:	-9.69(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-chlorophenyl)but-3-yn-2-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations