Geometry & MOs

Info

ID:	159064
PubChem CID:	57260104
Reduced:	CH2 (14)
Stoich.:	AB2 (14)
Weight, g/mol:	342.219495
ΔH_f, kcal/mol:	-64.01
Dipole, Da:	0.07
IP(EA), eV:	-10.18(4.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(7-hydroxyheptyl)-3-(3-oxo-4-phenylbut-1-enyl)cyclopentan-1-one

Drug info:

PubChemData

Smile

CCC(C)CC(CC)C1CCCCC1

DOS

IR

Vibrations