Geometry & MOs

Info

ID:	49078
PubChem CID:	11528685
Reduced:	OC15H28 (1)
Stoich.:	AB15C28 (1)
Weight, g/mol:	224.060407
ΔH_f, kcal/mol:	-80.61
Dipole, Da:	4.0
IP(EA), eV:	-9.85(0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-2-[(1R,2R)-2-hydroxy-2-methylcyclopropyl]ethanone

Drug info:

PubChemData

Smile

CCCCCCC(=O)CCCCCCC=C

DOS

IR

Vibrations