Geometry & MOs

Info

ID:	288453
PubChem CID:	104316835
Reduced:	NO2F3C15H20 (1)
Stoich.:	AB2C3D15E20 (1)
Weight, g/mol:	237.172879
ΔH_f, kcal/mol:	-224.34
Dipole, Da:	2.8
IP(EA), eV:	-9.18(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(ethylaminomethyl)-4-methylphenoxy]butan-2-ol

Drug info:

PubChemData

Smile

CC(CCOC1=C(C=C(C=C1)CNC2CC2)C(F)(F)F)O

DOS

IR

Vibrations