Geometry & MOs

Info

ID:	288458
PubChem CID:	104316901
Reduced:	FNO2C15H24 (1)
Stoich.:	ABC2D15E24 (1)
Weight, g/mol:	273.03644
ΔH_f, kcal/mol:	-145.65
Dipole, Da:	2.94
IP(EA), eV:	-8.82(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC(C)C1=C(C=CC(=C1)F)OCCC(C)O

DOS

IR

Vibrations