Geometry & MOs

Info

ID:	22129
PubChem CID:	596061
Reduced:	OC5H6 (2)
Stoich.:	AB5C6 (2)
Weight, g/mol:	164.08373
ΔH_f, kcal/mol:	-42.46
Dipole, Da:	4.94
IP(EA), eV:	-9.94(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-but-2-ynoylcyclohexan-1-one

Drug info:

PubChemData

Smile

CC#CC(=O)C1CCCCC1=O

DOS

IR

Vibrations