Geometry & MOs

Info

ID:	288419
PubChem CID:	104316476
Reduced:	NBr2O2C10H13 (1)
Stoich.:	AB2C2D10E13 (1)
Weight, g/mol:	199.100857
ΔH_f, kcal/mol:	-70.87
Dipole, Da:	5.24
IP(EA), eV:	-8.74(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-amino-4-fluorophenoxy)butan-2-ol

Drug info:

PubChemData

Smile

CC(CCOC1=C(C=C(C=C1Br)N)Br)O

DOS

IR

Vibrations