Geometry & MOs

Info

ID:	270615
PubChem CID:	103637323
Reduced:	BrNOC12H16 (1)
Stoich.:	ABCD12E16 (1)
Weight, g/mol:	327.00818
ΔH_f, kcal/mol:	-23.91
Dipole, Da:	3.93
IP(EA), eV:	-8.86(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]phenol

Drug info:

PubChemData

Smile

C1CC(C1)CNCC2=C(C=CC(=C2)Br)O

DOS

IR

Vibrations