Geometry & MOs

Info

ID:	288455
PubChem CID:	104316847
Reduced:	NO2C12H19 (1)
Stoich.:	AB2C12D19 (1)
Weight, g/mol:	239.152144
ΔH_f, kcal/mol:	-88.19
Dipole, Da:	3.38
IP(EA), eV:	-8.74(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[(1S)-1-aminoethyl]-2-methoxyphenoxy]butan-2-ol

Drug info:

PubChemData

Smile

C[C@H](C1=CC=C(C=C1)OCCC(C)O)N

DOS

IR

Vibrations