Geometry & MOs

Info

ID:	263436
PubChem CID:	103367425
Reduced:	BrN2F3C12H12 (1)
Stoich.:	AB2C3D12E12 (1)
Weight, g/mol:	272.113648
ΔH_f, kcal/mol:	-114.33
Dipole, Da:	3.83
IP(EA), eV:	-9.75(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3,3-trifluoro-2-[[[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]propanenitrile

Drug info:

PubChemData

Smile

C[C@H](C1=CC=C(C=C1)Br)NCC(C#N)C(F)(F)F

DOS

IR

Vibrations