Geometry & MOs

Info

ID:	312918
PubChem CID:	126609945
Reduced:	O3C17H28 (1)
Stoich.:	A3B17C28 (1)
Weight, g/mol:	246.198365
ΔH_f, kcal/mol:	-155.86
Dipole, Da:	3.23
IP(EA), eV:	-8.77(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(cyclopentylmethoxy)-3-[(2S)-2-methylbutyl]benzene

Drug info:

PubChemData

Smile

CCCC(CCC)COC1=CC(=CC=C1)O[C@@H](CC)O

DOS

IR

Vibrations