Geometry & MOs

Info

ID:	246090
PubChem CID:	103043414
Reduced:	ClFSN3C12H13 (1)
Stoich.:	ABCD3E12F13 (1)
Weight, g/mol:	316.994111
ΔH_f, kcal/mol:	6.18
Dipole, Da:	3.97
IP(EA), eV:	-9.49(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chloro-4-fluorophenyl)-1-(2,6-dichlorophenyl)ethanamine

Drug info:

PubChemData

Smile

CCC1=C(SN=N1)C(CC2=CC(=C(C=C2)F)Cl)N

DOS

IR

Vibrations