Geometry & MOs

Info

ID:	384847
PubChem CID:	134977796
Reduced:	LiOC17H25 (1)
Stoich.:	ABC17D25 (1)
Weight, g/mol:	246.198365
ΔH_f, kcal/mol:	22.67
Dipole, Da:	7.36
IP(EA), eV:	-5.6(1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-cyclopentyl-2,2-dimethylpropyl)-2-methoxybenzene

Drug info:

PubChemData

Smile

[Li+].CC(C)(C)C([C-]1CCCC1)C2=CC=CC=C2OC

DOS

IR

Vibrations