Geometry & MOs

Info

ID:	264290
PubChem CID:	103450818
Reduced:	OC5H9 (2)
Stoich.:	AB5C9 (2)
Weight, g/mol:	260.17763
ΔH_f, kcal/mol:	-119.93
Dipole, Da:	1.23
IP(EA), eV:	-9.57(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,5-dimethylphenyl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone

Drug info:

PubChemData

Smile

CCC(=O)C1(CCC(CC1)C)O

DOS

IR

Vibrations