Geometry & MOs

Info

ID:	20978
PubChem CID:	586566
Reduced:	O2C11H16 (1)
Stoich.:	A2B11C16 (1)
Weight, g/mol:	180.11503
ΔH_f, kcal/mol:	-87.71
Dipole, Da:	1.54
IP(EA), eV:	-10.04(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-acetylcyclopentyl)but-3-en-2-one

Drug info:

PubChemData

Smile

CC(=O)C=CC1(CCCC1)C(=O)C

DOS

IR

Vibrations