Geometry & MOs

Info

ID:	374933
PubChem CID:	131407195
Reduced:	NF3C11H12 (1)
Stoich.:	AB3C11D12 (1)
Weight, g/mol:	264.993983
ΔH_f, kcal/mol:	-120.62
Dipole, Da:	3.66
IP(EA), eV:	-9.76(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(6-chloro-1-benzothiophen-2-yl)-2,2,2-trifluoroethanamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C(F)F)F)[C@@H](C=C)N

DOS

IR

Vibrations