Geometry & MOs

Info

ID:	372567
PubChem CID:	131299877
Reduced:	NSF3H8C10 (1)
Stoich.:	ABC3D8E10 (1)
Weight, g/mol:	231.032955
ΔH_f, kcal/mol:	-135.63
Dipole, Da:	4.41
IP(EA), eV:	-8.56(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methyl-4-(trifluoromethyl)-1-benzothiophen-3-amine

Drug info:

PubChemData

Smile

CC1=CC2=C(S1)C=CC(=C2N)C(F)(F)F

DOS

IR

Vibrations