Geometry & MOs

Info

ID:	258687
PubChem CID:	103156401
Reduced:	NO3C17H27 (1)
Stoich.:	AB3C17D27 (1)
Weight, g/mol:	293.199094
ΔH_f, kcal/mol:	-123.39
Dipole, Da:	1.94
IP(EA), eV:	-8.41(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopentyl-3-[2-methoxy-5-(methylaminomethyl)phenoxy]propan-2-ol

Drug info:

PubChemData

Smile

CNCC1=CC(=C(C=C1)OCC(CC2CCCC2)O)OC

DOS

IR

Vibrations