Geometry & MOs

Info

ID:	288416
PubChem CID:	104316458
Reduced:	NO2C12H25 (1)
Stoich.:	AB2C12D25 (1)
Weight, g/mol:	229.086957
ΔH_f, kcal/mol:	-131.4
Dipole, Da:	3.31
IP(EA), eV:	-9.15(2.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(aminomethyl)-3-chlorophenoxy]butan-2-ol

Drug info:

PubChemData

Smile

CC(CCOC1(CCCCCC1)CN)O

DOS

IR

Vibrations