Geometry & MOs

Info

ID:	264287
PubChem CID:	103450658
Reduced:	ClO2C15H19 (1)
Stoich.:	AB2C15D19 (1)
Weight, g/mol:	224.17763
ΔH_f, kcal/mol:	-99.31
Dipole, Da:	1.8
IP(EA), eV:	-9.42(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopentyl-1-(1-hydroxy-4-methylcyclohexyl)ethanone

Drug info:

PubChemData

Smile

CC1CCC(CC1)(C(=O)CC2=CC=CC=C2Cl)O

DOS

IR

Vibrations