Geometry & MOs

Info

ID:	293128
PubChem CID:	117374409
Reduced:	OC8H12 (2)
Stoich.:	AB8C12 (2)
Weight, g/mol:	248.17763
ΔH_f, kcal/mol:	-87.85
Dipole, Da:	2.83
IP(EA), eV:	-8.96(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-cyclopentyloxy-3,4-dimethylphenyl)propan-1-ol

Drug info:

PubChemData

Smile

CCC1=CC(=C(C(=C1)C(C)(C)C)OC)CCC=O

DOS

IR

Vibrations