Geometry & MOs

Info

ID:	372403
PubChem CID:	131297057
Reduced:	INSO2H6C11 (1)
Stoich.:	ABCD2E6F11 (1)
Weight, g/mol:	207.067112
ΔH_f, kcal/mol:	0.66
Dipole, Da:	4.49
IP(EA), eV:	-9.44(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-(2,6-difluorophenyl)-3,3-difluoropropan-1-amine

Drug info:

PubChemData

Smile

C1=C2C=C(SC2=CC(=C1CC(=O)O)C#N)I

DOS

IR

Vibrations