Geometry & MOs

Info

ID:	288489
PubChem CID:	104317501
Reduced:	NO2C13H21 (1)
Stoich.:	AB2C13D21 (1)
Weight, g/mol:	211.137242
ΔH_f, kcal/mol:	-87.7
Dipole, Da:	1.23
IP(EA), eV:	-8.8(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(1R)-1-(2-fluorophenyl)ethyl]amino]butan-2-ol

Drug info:

PubChemData

Smile

C[C@H](C1=CC(=CC=C1)OC)NCCC(C)O

DOS

IR

Vibrations