Geometry & MOs

Info

ID:	258695
PubChem CID:	103156441
Reduced:	NO2C18H29 (1)
Stoich.:	AB2C18D29 (1)
Weight, g/mol:	293.199094
ΔH_f, kcal/mol:	-97.66
Dipole, Da:	2.38
IP(EA), eV:	-8.71(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopentyl-3-[2-methoxy-6-(methylaminomethyl)phenoxy]propan-2-ol

Drug info:

PubChemData

Smile

CCC(C1=CC=C(C=C1)OCC(CC2CCCC2)O)NC

DOS

IR

Vibrations