Geometry & MOs

Info

ID:	279916
PubChem CID:	103845641
Reduced:	NBr2O2C15H23 (1)
Stoich.:	AB2C2D15E23 (1)
Weight, g/mol:	275.149699
ΔH_f, kcal/mol:	-77.65
Dipole, Da:	3.72
IP(EA), eV:	-9.23(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-2-[[(3,4,5-trifluorophenyl)methylamino]methyl]butan-1-ol

Drug info:

PubChemData

Smile

CCC(CC)(CNCC1=CC(=C(C(=C1)Br)OC)Br)CO

DOS

IR

Vibrations