Geometry & MOs

Info

ID:	270796
PubChem CID:	103638159
Reduced:	BrN2O2F3C13H16 (1)
Stoich.:	AB2C2D3E13F16 (1)
Weight, g/mol:	258.097998
ΔH_f, kcal/mol:	-235.96
Dipole, Da:	5.52
IP(EA), eV:	-8.94(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]benzonitrile

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)CN(CCO)CC(F)(F)F)Br

DOS

IR

Vibrations