Geometry & MOs

Info

ID:	204940
PubChem CID:	80035122
Reduced:	ON2F4H12C13 (1)
Stoich.:	AB2C4D12E13 (1)
Weight, g/mol:	337.031511
ΔH_f, kcal/mol:	-193.51
Dipole, Da:	4.74
IP(EA), eV:	-9.83(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-chlorothiophen-2-yl)-1-[2-fluoro-3-(trifluoromethyl)phenyl]-N-methylethanamine

Drug info:

PubChemData

Smile

CCN1C(=CC=N1)C(C2=C(C(=CC=C2)C(F)(F)F)F)O

DOS

IR

Vibrations