Geometry & MOs

Info

ID:	270596
PubChem CID:	103637215
Reduced:	BrON2C16H25 (1)
Stoich.:	ABC2D16E25 (1)
Weight, g/mol:	341.02268
ΔH_f, kcal/mol:	-46.48
Dipole, Da:	3.14
IP(EA), eV:	-8.6(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-[[1-(2,6-difluorophenyl)ethylamino]methyl]phenol

Drug info:

PubChemData

Smile

CC(CNCC1=C(C=CC(=C1)Br)O)CN2CCCCC2

DOS

IR

Vibrations