Geometry & MOs

Info

ID:	375400
PubChem CID:	131500202
Reduced:	ON2C8H8 (1)
Stoich.:	AB2C8D8 (1)
Weight, g/mol:	221.046377
ΔH_f, kcal/mol:	38.1
Dipole, Da:	5.24
IP(EA), eV:	-8.93(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-7-fluoro-6-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-amine

Drug info:

PubChemData

Smile

C1CC1C2=CC(=C(O2)C#N)N

DOS

IR

Vibrations