Geometry & MOs

Info

ID:	373663
PubChem CID:	131318448
Reduced:	NC15H19 (1)
Stoich.:	AB15C19 (1)
Weight, g/mol:	233.996235
ΔH_f, kcal/mol:	14.32
Dipole, Da:	2.24
IP(EA), eV:	-8.57(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(trifluoromethyl)-1-benzothiophene-3,5-diol

Drug info:

PubChemData

Smile

CC1=C2C=CC(=CC2=CC=C1)[C@H](C(C)C)N

DOS

IR

Vibrations