Geometry & MOs

Info

ID:	372566
PubChem CID:	131299837
Reduced:	FN2C13H15 (1)
Stoich.:	AB2C13D15 (1)
Weight, g/mol:	231.032955
ΔH_f, kcal/mol:	-14.04
Dipole, Da:	3.61
IP(EA), eV:	-9.28(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-5-(trifluoromethyl)-1-benzothiophen-4-amine

Drug info:

PubChemData

Smile

C1CNCCC1(C2=CC=C(C=C2)CC#N)F

DOS

IR

Vibrations