Geometry & MOs

Info

ID:	399526
PubChem CID:	135040763
Reduced:	O13C44H80 (1)
Stoich.:	A13B44C80 (1)
Weight, g/mol:	230.13068
ΔH_f, kcal/mol:	-706.82
Dipole, Da:	2.64
IP(EA), eV:	-9.63(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1R,2R)-2-benzoylcyclopentyl]propan-2-one

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCC(=O)OCC1[C@H](C(C([C@H](O1)O[C@@H]2C(C([C@@H](C(O2)COC(=O)CCCCCCC/C=C\CCCCCCCC)O)O)O)O)O)O

DOS

IR

Vibrations