Geometry & MOs

Info

ID:	372862
PubChem CID:	131306145
Reduced:	NOSF3H8C10 (1)
Stoich.:	ABCD3E8F10 (1)
Weight, g/mol:	245.048605
ΔH_f, kcal/mol:	-171.38
Dipole, Da:	2.06
IP(EA), eV:	-8.69(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-ethyl-3-(trifluoromethyl)-1-benzothiophen-6-amine

Drug info:

PubChemData

Smile

C1=CC(=C(C2=C1C(=CS2)CO)N)C(F)(F)F

DOS

IR

Vibrations