Geometry & MOs

Info

ID:	205620
PubChem CID:	80127497
Reduced:	BrF2N2O3H9C12 (1)
Stoich.:	AB2C2D3E9F12 (1)
Weight, g/mol:	289.130049
ΔH_f, kcal/mol:	-157.31
Dipole, Da:	2.65
IP(EA), eV:	-9.0(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[2-[(3,5-dimethylphenyl)methylsulfanyl]-5-fluorophenyl]ethanamine

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(OC(=N1)C2=C(C=C(C=C2F)Br)F)N

DOS

IR

Vibrations