Geometry & MOs

Info

ID:	258716
PubChem CID:	103156548
Reduced:	ClNO2C17H26 (1)
Stoich.:	ABC2D17E26 (1)
Weight, g/mol:	341.09904
ΔH_f, kcal/mol:	-104.56
Dipole, Da:	4.63
IP(EA), eV:	-8.85(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(1-aminoethyl)-4-bromophenoxy]-3-cyclopentylpropan-2-ol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations